Water

Water

SCHEMBL486826

CC(C)C[Al+]CC(C)C.[OH-]

nearest known ligand 0.31

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 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.30

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
Water SCHEMBL30060355 0.93
SCHEMBL3115471 0.92 TSHR (0.33) TSHRLMNA
SCHEMBL557112 0.92
SCHEMBL22686936 0.92 TSHR (0.31) TSHRLMNA
Hydrochloric Acid SCHEMBL10456203 0.92 TSHR (0.31) TSHRLMNA
Iodide SCHEMBL1568039 0.92 TSHR (0.31) TSHRLMNA
SCHEMBL9483756 0.92 TSHR (0.31) TSHRLMNA
Hydrochloric Acid SCHEMBL21698 0.92 TSHR (0.31) TSHRLMNA
Bromide SCHEMBL7042100 0.88 ALDH1A1 (0.32) TSHR
SCHEMBL5834684 0.88 ALDH1A1 (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5616671-A SOLVENT-FREE, HEATED REACTION OF STARCH WITH IN SITU POLYMERIZED LACTONE IN MIXTURE CONTAINING ORGANOMETALLIC POLYMERIZING AGENT BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1997-04-01 US claimed
US-5578691-A POLYLACTONES BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1996-11-26 US claimed
US-5374744-A Sex pheronome of Japanese beetle, cupreous chafers; oxidation, reduction, cleavage, cyclization, alkynylation, hydrolysis JAPAN TOBACCO INC. (JP) 1994-12-20 US claimed
CN-113072551-B Nitrogen-containing biphenyl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-13 CN disclosed
CN-114763357-B Indolopyrimidine tricyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2024-06-18 CN disclosed
US-20230399285-A1 ILLUDIN ANALOGS, USES THEREOF, AND METHODS FOR SYNTHESIZING THE SAME LANTERN PHARMA INC. (US) 2023-12-14 US disclosed
CN-116836316-A Method for preparing syndiotactic 1, 2-polybutadiene and regulating molecular weight by Fe-based catalyst 青岛科技大学 2023-10-03 CN disclosed
US-11739043-B2 Illudin analogs, uses thereof, and methods for synthesizing the same LANTERN PHARMA INC. (US) 2023-08-29 US disclosed
CN-116478329-A Terminal-oligohydroxy liquid poly-conjugated diene rubber and preparation method and application thereof 青岛科技大学 2023-07-25 CN disclosed
CN-116355117-A Terminal functionalized high cis-rare earth conjugated diene rubber and preparation method thereof 青岛科技大学 2023-06-30 CN disclosed
CN-111542939-A Organic semiconductor element, organic semiconductor composition, organic semiconductor film, method for producing organic semiconductor film, and polymer for use in these 富士胶片株式会社 2020-08-14 CN disclosed
CN-1473858-A Process for producing alpha-olefine polymerized catayst and alpha-olefine polymers 住友化学工业株式会社 2004-02-11 CN disclosed
WO-2003030909-A1 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-17 WO disclosed
CN-1245773-A Process for producing chlorine SUMITOMO CHEMICAL CO (JP) 2000-03-01 CN disclosed
EP-0528044-B1 Process for producing 4-substituted gamma- lactone, and the so produced novel substances. JAPAN TOBACCO INC (JP) 1997-08-13 EP disclosed
US-5374744-A Sex pheronome of Japanese beetle, cupreous chafers; oxidation, reduction, cleavage, cyclization, alkynylation, hydrolysis JAPAN TOBACCO INC. (JP) 1994-12-20 US disclosed
EP-0528044-A1 PROCESS FOR PRODUCING 4-SUBSTITUTED $g(g)-LACTONE, AND NOVEL SUBSTANCE JAPAN TOBACCO INC. (JP) 1993-02-24 EP disclosed
CN-1059529-A [3,2-C] pyrazolyl of androgen antagonist and [3,2-d] triazolyl steroid SCHERING AG (DE) 1992-03-18 CN disclosed
EP-0104880-A2 Attractant termiticidal compounds, compositions and methods of use therefor THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1984-04-04 EP disclosed
US-4304907-A Bicyclo lactone intermediates for prostaglandin analogs THE UPJOHN COMPANY (US) 1981-12-08 US 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 (2 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-20230399285-A1 ILLUDIN ANALOGS, USES THEREOF, AND METHODS FOR SYNTHESIZING THE SAME SERPINC1, NUDT21, HABP2 TSHR 1737/4885LMNA 1255/4885
US-11739043-B2 Illudin analogs, uses thereof, and methods for synthesizing the same SERPINC1, NUDT21, HABP2 TSHR 1737/4885LMNA 1255/4885

“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.