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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL28099857 | 1.00 | — | — | |
| Water SCHEMBL3568032 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL6664844 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL273150 | 0.82 | — | — | |
| Water SCHEMBL8750572 | 0.82 | — | — | |
| Water SCHEMBL23929194 | 0.82 | — | — | |
| Water SCHEMBL11233286 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL2511426 | 0.82 | — | — | |
| Methane SCHEMBL2579963 | 0.82 | — | — | |
| Charcoal, Activated SCHEMBL3020901 | 0.82 | — | — |
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
Appears in 38720 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12637456-B2 | Process for preparing methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl} carbamate | ADVERIO PHARMA GMBH (DE) | 2026-05-26 | — | — | US | claimed |
| US-12637439-B2 | Preparation of cannabichromene and related cannabinoids | BAYMEDICA, INC. (US) | 2026-05-26 | — | — | US | claimed |
| CN-117964510-B | Agomela Process for the preparation of a statin | 浙江东亚药业股份有限公司 | 2026-05-19 | — | — | CN | claimed |
| CN-122059869-A | Method for synthesizing Nilapachone key intermediate | 南京正大天晴制药有限公司 | 2026-05-19 | — | — | CN | claimed |
| WO-2026098613-A1 | METHOD FOR PREPARING BENZODIOXOLE OR SALT THEREOF | 江苏恒瑞医药股份有限公司 | 2026-05-15 | — | — | WO | claimed |
| CN-122010758-A | Method for preparing key intermediate of ilalastine | 上海格苓凯生物科技有限公司 | 2026-05-12 | — | — | CN | claimed |
| WO-2026086809-A1 | PROCESS FOR PREPARING 3- [ (3AS, 6AR) -5- {5-CHLORO-2- [ (1-METHYL-1H-PYRAZOL-4-YL) AMINO] PYRIMIDIN-4-YL} -3A-METHYL-OCTAHYDROPYRROLO [3, 4-C] PYRROLE-2-YL] -3-OXOPROPIONITRILE | BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) | 2026-04-30 | — | — | WO | claimed |
| US-20260116927-A1 | Synthesis of GLP-1R/GIPR Agonists and Precursors Thereof | CARMOT THERAPEUTICS INC. (US) | 2026-04-30 | — | — | US | claimed |
| EP-4731645-A1 | SYNTHESIS OF GLP-1R/GIPR AGONISTS AND PRECURSORS THEREOF | Carmot Therapeutics Inc. (US) | 2026-04-29 | — | — | EP | claimed |
| US-12600741-B2 | 3-phenoxybenzoic acid-glucuronic acid conjugate, and preparation method and use thereof | SHANXI MEDICAL UNIVERSITY (CN) | 2026-04-14 | — | — | US | claimed |
| US-4424241-A | Electroless palladium process | BELL TELEPHONE LABORATORIES, INCORPORATED (US) | 1984-01-03 | — | — | US | claimed |
| US-4380651-A | HYDROGENATION, PALLADIUM, BARIUM SULFATE CATALYSTS | THE UPJOHN COMPANY (US) | 1983-04-19 | — | — | US | claimed |
| US-4377450-A | Palladium electroplating procedure | BELL TELEPHONE LABORATORIES, INCORPORATED (US) | 1983-03-22 | — | — | US | claimed |
| US-4352752-A | Process for the preparation of dipeptides | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-10-05 | — | — | US | claimed |
| US-4351962-A | Process for the preparation of hydroxy benzene carboxaldehydes | RHONE POULENC INC. (US) | 1982-09-28 | — | — | US | claimed |
| EP-0009802-B1 | PD/SIO2 HYDROGENATION CATALYST, THE PROCESS OF PREPARING THE CATALYST AND ITS USE FOR PRODUCING HYDROGEN PEROXIDE | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-04-21 | — | — | EP | claimed |
| EP-0000300-B1 | SUBSTITUTED ESTRA-1,3,5(10),6-TETRAENES, PROCESS FOR THEIR PREPARATION AND USE IN THE SYNTHESIS OF TRITIUM LABELLED STEROIDS | ROUSSEL-UCLAF (FR) | 1982-01-06 | — | — | EP | claimed |
| US-4240933-A | ALSO CONTAINING A SMALL AMOUNT OF A METAL OXIDE, HYDROXIDE OR CARBONATE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-12-23 | — | — | US | claimed |
| EP-0009802-A1 | Pd/SiO2 hydrogenation catalyst, the process of preparing the catalyst and its use for producing hydrogen peroxide | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-04-16 | — | — | EP | claimed |
| US-4035227-A | ACTIVATION WITH TIN-PALLADIUM COMPLEX, RINSE WITH WATER THEN TREATMENT WITH NICKEL CHLORIDE AND FLUORIDE IONS | OXY METAL INDUSTRIES CORPORATION (US) | 1977-07-12 | — | — | US | claimed |