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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL1027097 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL1029996 | 0.91 | — | — | |
| Iodide SCHEMBL1031290 | 0.91 | — | — | |
| SCHEMBL11587227 | 0.91 | — | — | |
| Bromide SCHEMBL8195963 | 0.91 | — | — | |
| SCHEMBL10790148 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL9716516 | 0.78 | TSHR (0.38) | — | |
| Sulfuric Acid SCHEMBL7706932 | 0.75 | CA1 (0.35) | — | |
| Bromide SCHEMBL1030583 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL1030439 | 0.75 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6198012-B1 | UTILIZING CHLORINATED ALUMINA-BASED CATALYST CONTAINING TIN AND PLATINUM IN DEHYDROGENATION OF BUTANE TO BUTENES AND PRODUCTION OF BENZENE, TOLUENE AND XYLENES FROM BUTANE | PHILLIPS PETROLEUM COMPANY | 2001-03-06 | — | — | US | claimed |
| US-6191064-B1 | STEAM TREATMENT OF TIN IMPREGNATED ALUMINA, IMPREGNATING WITH A PLATINUM COMPOUND AND CALCINING, CHLORINATION TO YIELD CHLORINATED CALCINED PLATINUM-CONTAINING TIN ALUMINATE HAVING IMPROVED CATALYST SELECTIVITY | PHILLIPS PETROLEUM COMPANY | 2001-02-20 | — | — | US | claimed |
| US-6187984-B1 | CATALYTIC DEHYDROGENATION WITH TIN IMPREGNATED ALUMINA AND PLATINUM | PHILLIPS PETROLEUM COMPANY | 2001-02-13 | — | — | US | claimed |
| US-6133192-A | IMPREGNATING ALUMINA WITH A TIN COMPOUND, STEAM TREATING TO FORM TIN-ALUMINATE, IMPREGNATING THE FORMED TIN-ALUMINATED WITH PLATINUM COMPOUND, CALCINING IN PRESENCE OF AIR TO FORM CALCINED PLATINUM CONTAINING TIN-ALUMINATE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 2000-10-17 | — | — | US | claimed |
| JP-57116092-A | — | — | None | — | — | JP | disclosed |
| US-6198012-B1 | UTILIZING CHLORINATED ALUMINA-BASED CATALYST CONTAINING TIN AND PLATINUM IN DEHYDROGENATION OF BUTANE TO BUTENES AND PRODUCTION OF BENZENE, TOLUENE AND XYLENES FROM BUTANE | PHILLIPS PETROLEUM COMPANY | 2001-03-06 | — | — | US | disclosed |
| US-6191064-B1 | STEAM TREATMENT OF TIN IMPREGNATED ALUMINA, IMPREGNATING WITH A PLATINUM COMPOUND AND CALCINING, CHLORINATION TO YIELD CHLORINATED CALCINED PLATINUM-CONTAINING TIN ALUMINATE HAVING IMPROVED CATALYST SELECTIVITY | PHILLIPS PETROLEUM COMPANY | 2001-02-20 | — | — | US | disclosed |
| US-6187984-B1 | CATALYTIC DEHYDROGENATION WITH TIN IMPREGNATED ALUMINA AND PLATINUM | PHILLIPS PETROLEUM COMPANY | 2001-02-13 | — | — | US | disclosed |
| US-6133192-A | IMPREGNATING ALUMINA WITH A TIN COMPOUND, STEAM TREATING TO FORM TIN-ALUMINATE, IMPREGNATING THE FORMED TIN-ALUMINATED WITH PLATINUM COMPOUND, CALCINING IN PRESENCE OF AIR TO FORM CALCINED PLATINUM CONTAINING TIN-ALUMINATE CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| US-5736478-A | ROASTING TIN, GERMANIUM AND/OR LEAD METAL-ZEOLITE SUPPORT, IMPREGNATING WITH PLATINUM, NICKEL, AND/OR PALLADIUM INTO POTASSIUM-TYPE L-ZEOLITE | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1998-04-07 | — | — | US | disclosed |
| EP-0067607-B1 | A CATALYST FOR POLYMERIZATION OF OLEFINS | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1987-01-21 | — | — | EP | disclosed |
| EP-0090448-B1 | POLYMERS CONTAINING ORGANOTIN COMPOUNDS AND PAINT ON THE BASIS THEREOF | DSM RESINS B.V. (NL) | 1985-08-14 | — | — | EP | disclosed |
| US-4497937-A | ANTIFOULING AGENTS | DSM RESINS, B.V. (NL) | 1985-02-05 | — | — | US | disclosed |
| US-4451573-A | COORDINATION CATALYST HAVING CHROMIUM COMPONENT AND ORGANOMETALLIC COMPONENT | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1984-05-29 | — | — | US | disclosed |
| EP-0090448-A1 | Polymers containing organotin compounds and paint on the basis thereof | DSM RESINS B.V. (NL) | 1983-10-05 | — | — | EP | disclosed |
| EP-0067607-A2 | A catalyst for polymerization of olefins | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1982-12-22 | — | — | EP | disclosed |
| JP-S57116092-A | PRODUCTION OF TRIOGRANOTIN ESTER | NIPPON OIL & FATS CO LTD | 1982-07-19 | — | — | JP | disclosed |