Water

Water

SCHEMBL1004548

CC[N+](C)(C)C1CCCCC1.[OH-]

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.35
SHBG P04278 1/20 0.33
CYP1A2 P05177 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
CCR2 P41597 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27081629 0.97 BBOX1 (0.36) BBOX1SHBGCYP1A2CHRNB4CHRNA3
SCHEMBL815698 0.97 BBOX1 (0.36) BBOX1SHBGCYP1A2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL20875141 0.95 BBOX1 (0.35) BBOX1SHBGCYP1A2CHRNB4CHRNA3
Iodide SCHEMBL20875143 0.95 BBOX1 (0.35) BBOX1SHBGCYP1A2CHRNB4CHRNA3
Bromide SCHEMBL20875136 0.95 BBOX1 (0.35) BBOX1SHBGCYP1A2CHRNB4CHRNA3
Fluoride Ion SCHEMBL20875139 0.95 BBOX1 (0.35) BBOX1SHBGCYP1A2CHRNB4CHRNA3
SCHEMBL8758451 0.95 BBOX1 (0.38) BBOX1SHBGCHRNB4CHRNA3CHRNA7
Bicarbonate SCHEMBL31207716 0.84 BBOX1 (0.50) BBOX1CCR2
Sulfuric Acid SCHEMBL31207749 0.84 BBOX1 (0.38) BBOX1CCR2
SCHEMBL20797037 0.83 BBOX1 (0.38) BBOX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312245-B2 Method for manufacture of co-crystallized zeolite beta and zeolite mordenite in the presence of ODSO SAUDI ARABIAN OIL COMPANY (SA) 2025-05-27 US claimed
WO-2025102202-A1 POLYISOCYANATE COMPOSITION, AND COATING LAYER HAVING IMPROVED CHEMICAL RESISTANCE 万华化学集团股份有限公司 2025-05-22 WO claimed
CN-119978314-A Polyisocyanate composition and coating with improved chemical resistance 万华化学集团股份有限公司 2025-05-13 CN claimed
US-11827523-B2 Method for manufacture of zeolite beta in the presence of ODSO SAUDI ARABIAN OIL COMPANY (SA) 2023-11-28 US claimed
US-20230331565-A1 METHOD FOR MANUFACTURE OF ZEOLITE BETA IN THE PRESENCE OF ODSO SAUDI ARABIAN OIL COMPANY (SA) 2023-10-19 US claimed
US-20230331563-A1 METHOD FOR MANUFACTURE OF CO-CRYSTALLIZED ZEOLITE BETA AND ZEOLITE MORDENITE IN THE PRESENCE OF ODSO SAUDI ARABIAN OIL COMPANY (SA) 2023-10-19 US claimed
CN-107899608-B Preparation method of self-supporting metal modified Beta molecular sieve and application of self-supporting metal modified Beta molecular sieve in synthesis of isoprene 中国科学院长春应用化学研究所 2020-07-28 CN claimed
CN-107899608-A A kind of preparation method of metal-modified Beta molecular sieves of self-supporting and its application in isoprene is synthesized 中国科学院长春应用化学研究所 2018-04-13 CN claimed
CN-103601212-B Method for preparing chiral polymorph A-shaped excessive Beta zeolite molecular sieve UNIV JILIN 2015-06-03 CN claimed
CN-103601212-A Method for preparing chiral polymorph A-shaped excessive Beta zeolite molecular sieve UNIV JILIN 2014-02-26 CN claimed
EP-4748481-A1 METHOD FOR TREATING EXHAUST GAS Covestro Deutschland AG (DE) 2026-05-27 EP disclosed
US-20260116766-A1 BETA ZEOLITE AND METHOD FOR MANUFACTURING THE SAME TOSOH CORPORATION (JP) 2026-04-30 US disclosed
EP-4733258-A1 BETA ZEOLITE AND METHOD FOR MANUFACTURING THE SAME Tosoh Corporation (JP) 2026-04-29 EP disclosed
US-12522509-B2 Method to co-synthesize amorphous and crystalline materials in the presence of ODSO SAUDI ARABIAN OIL COMPANY (SA) 2026-01-13 US disclosed
US-12410062-B2 Method to synthesize crystalline materials in the presence of ODSO with improved zeolite crystallization rates and enhanced relative crystallinity SAUDI ARABIAN OIL COMPANY (SA) 2025-09-09 US disclosed
EP-0047452-B1 PROCESS FOR THE PREPARATION OF ISOCYANURATES CONTAINING ISOCYANATE GROUPS THE PRODUCTS OBTAINED BY THE PROCESS AND THEIR APPLICATION AS ISOCYANATE COMPONENT IN POLYURETHANE LACQUERS BAYER AG (DE) 1984-03-21 EP disclosed
US-4419513-A FROM HEXAMETHYLENE DIISOCYANATE AND ISOPHOR-ONE DIISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1983-12-06 US disclosed
EP-0047452-A1 Process for the preparation of isocyanurates containing isocyanate groups the products obtained by the process and their application as isocyanate component in polyurethane lacquers BAYER AG (DE) 1982-03-17 EP disclosed
EP-0013880-B1 ISOCYANATE GROUPS-CONTAINING ISOCYANURATES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS ISOCYANATE COMPONENT IN POLYURETHANE LACQUERS BAYER AG (DE) 1981-12-30 EP disclosed
EP-0013880-A1 Isocyanate groups-containing isocyanurates, process for their preparation and their application as isocyanate component in polyurethane lacquers BAYER AG (DE) 1980-08-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260116766-A1 BETA ZEOLITE AND METHOD FOR MANUFACTURING THE SAME SIK1, LBR, MANBA BBOX1 896/4885SHBG 2126/4885CYP1A2 3928/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.