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 | |
|---|---|---|---|---|
| SCHEMBL642696 | 0.96 | — | — | |
| Bromide SCHEMBL5323671 | 0.93 | — | — | |
| SCHEMBL8200673 | 0.93 | HIF1A (0.43) | — | |
| SCHEMBL2225649 | 0.93 | HIF1A (0.43) | — | |
| SCHEMBL5979256 | 0.93 | HIF1A (0.43) | — | |
| Hydrochloric Acid SCHEMBL1983463 | 0.93 | — | — | |
| Iodide SCHEMBL4299812 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9937376 | 0.90 | HIF1A (0.31) | — | |
| Hydrochloric Acid SCHEMBL2447319 | 0.90 | HIF1A (0.31) | — | |
| Bromide SCHEMBL6055853 | 0.90 | HIF1A (0.31) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113912079-A | CHA molecular sieve synthesis method with high framework adjacent pairing Al content and application | 中触媒新材料股份有限公司 | 2022-01-11 | — | — | CN | disclosed |
| EP-1406602-A2 | USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS | Pharmacia Corporation (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003007930-A2 | USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS | PHARMACIA CORPORATION (US) | 2003-01-30 | — | — | WO | disclosed |
| EP-1230219-A1 | AROMATIC SULFONS HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | G.D. Searle & Co. (US) | 2002-08-14 | — | — | EP | disclosed |
| EP-1183239-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | G.D. SEARLE & CO. (US) | 2002-03-06 | — | — | EP | disclosed |
| EP-1177173-A1 | HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS | G.D. SEARLE & CO. (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2002003994-A1 | N SULFONYL AMINOACID DERIVATIVES AS INHIBITORS OF METALLOPROTEINASE | G.D. SEARLE & CO. (US) | 2002-01-17 | — | — | WO | disclosed |
| WO-2001085680-A2 | SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS | PHARMACIA CORPORATION (US) | 2001-11-15 | — | — | WO | disclosed |
| US-20010020021-A1 | SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS | G.D. SEARLE & CO. | 2001-09-06 | — | — | US | disclosed |
| EP-0973392-A4 | SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS | MONSANTO CO (US) | 2001-05-02 | — | — | EP | disclosed |
| EP-0983258-A1 | N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS | MONSANTO COMPANY (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0983267-A1 | AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS | MONSANTO COMPANY (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0977745-A1 | THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS | MONSANTO COMPANY (US) | 2000-02-09 | — | — | EP | disclosed |
| EP-0973392-A1 | SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS | MONSANTO COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1999025687-A1 | AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR | G.D. SEARLE & CO. (US) | 1999-05-27 | — | — | WO | disclosed |
| WO-1998039316-A1 | N-HYDROXY 4-SULFONYL BUTANAMIDE COMPOUNDS | MONSANTO COMPANY (US) | 1998-09-11 | — | — | WO | disclosed |
| WO-1998038859-A1 | SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS | MONSANTO COMPANY (US) | 1998-09-11 | — | — | WO | disclosed |
| WO-1998039313-A1 | THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS | MONSANTO COMPANY (US) | 1998-09-11 | — | — | WO | disclosed |
| WO-1998039329-A1 | AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS | MONSANTO COMPANY (US) | 1998-09-11 | — | — | WO | disclosed |
| US-4127497-A | Michael adducts of (substituted) cyclopentadiene and esters: a process therefor and derivatives thereof | THE DOW CHEMICAL COMPANY (US) | 1978-11-28 | — | — | US | disclosed |