Water

Water

SCHEMBL3788945

Cc1cn(C)c[n+]1C.[OH-]

nearest known ligand 0.00

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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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL30980123 0.97
Iodide SCHEMBL27547524 0.97
SCHEMBL14255540 0.70
SCHEMBL372850 0.69 MEN1 (0.32)
SCHEMBL486456 0.67
SCHEMBL10131942 0.62
Hydrochloric Acid SCHEMBL30980124 0.60 KCNH2 (0.36)
SCHEMBL486504 0.56
SCHEMBL348022 0.54
Hydrochloric Acid SCHEMBL21354551 0.54 HDAC8 (0.32)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291529-B1 SYNTHESIS OF TON FRAMEWORK TYPE MOLECULAR SIEVES CHEVRON USA INC (US) 2026-03-11 EP disclosed
US-12246969-B2 Synthesis of ton framework type molecular sieves CHEVRON U.S.A. INC. (US) 2025-03-11 US disclosed
EP-4291529-A1 SYNTHESIS OF TON FRAMEWORK TYPE MOLECULAR SIEVES Chevron U.S.A. Inc. (US) 2023-12-20 EP disclosed
CN-116940526-A Synthesis of TON framework type molecular sieves 雪佛龙美国公司 2023-10-24 CN disclosed
US-20230135430-A1 SYNTHESIS OF TON FRAMEWORK TYPE MOLECULAR SIEVES CHEVRON U.S.A. INC. 2023-05-04 US disclosed
US-11565943-B2 Synthesis of ton framework type molecular sieves CHEVRON U.S.A. INC. (US) 2023-01-31 US disclosed
WO-2022172117-A1 SYNTHESIS OF TON FRAMEWORK TYPE MOLECULAR SIEVES CHEVRON U.S.A. INC. (US) 2022-08-18 WO disclosed
US-20220250926-A1 SYNTHESIS OF TON FRAMEWORK TYPE MOLECULAR SIEVES CHEVRON U.S.A. INC. 2022-08-11 US disclosed
US-7837979-B2 Catalysis of a crystalline molecular sieve using 1,2,4,6-tetramethylpyridinium compound; adsorbent for gas separation EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2010-11-23 US disclosed
WO-2008057430-A1 SYNTHESIS OF ITQ-12 EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2008-05-15 WO disclosed
US-20080107594-A1 Synthesis of ITQ-12 EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2008-05-08 US disclosed
CN-1312036-C Synthetic porous crystalline material TIQ-12, its synthesis and use EXXONMOBIL RES & ENG CO (US) 2007-04-25 CN disclosed
CN-1512964-A Synthetic porous crystalline material TIQ-12, its synthesis and use ����ɭ�о����̹�˾ 2004-07-14 CN disclosed