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 | |
|---|---|---|---|---|
| SCHEMBL1980407 | 0.98 | — | — | |
| Phosphoric Acid SCHEMBL28367097 | 0.91 | — | — | |
| SCHEMBL25360569 | 0.91 | — | — | |
| Phosphoric Acid SCHEMBL28367096 | 0.88 | GGPS1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL25361229 | 0.88 | — | — | |
| Water SCHEMBL8009819 | 0.85 | CHRM1 (0.34) | — | |
| Betaine SCHEMBL7550058 | 0.84 | TSHR (0.42) | — | |
| SCHEMBL9011006 | 0.82 | CHRM1 (0.35) | — | |
| SCHEMBL17157330 | 0.80 | SLC22A2 (0.38) | — | |
| Sulfuric Acid SCHEMBL28789324 | 0.78 | CHRM1 (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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6527622-B1 | CMP method for noble metals | CABOT MICROELECTRONICS CORPORATION | 2003-03-04 | — | — | US | claimed |
| EP-1599555-B1 | CMP COMPOSITION COMPRISING A SULFONIC ACID AND A METHOD FOR POLISHING NOBLE METALS | CABOT MICROELECTRONICS CORP (US) | 2019-06-12 | — | — | EP | disclosed |
| EP-1928965-B1 | COMPOSITIONS AND METHODS FOR TANTALUM CMP | CABOT MICROELECTRONICS CORP (US) | 2015-12-30 | — | — | EP | disclosed |
| EP-1576208-B1 | BRIGHTENER FOR ZINC-NICKEL PLATING BATH | COVENTYA INC (US) | 2013-03-06 | — | — | EP | disclosed |
| US-20090166583-A1 | COMPOSITION FOR ANISOTROPIC PIGMENTED FILM, ANISOTROPIC PIGMENTED FILM, AND POLARIZING ELEMENT | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-07-02 | — | — | US | disclosed |
| EP-1906216-A1 | COMPOSITION FOR ANISOTROPIC PIGMENTED FILM, ANISOTROPIC PIGMENTED FILM, AND POLARIZING ELEMENT | Mitsubishi Chemical Corporation (JP) | 2008-04-02 | — | — | EP | disclosed |
| EP-1576208-A4 | BRIGHTENER FOR ZINC-NICKEL PLATING BATH | TASKEM INC (US) | 2008-02-13 | — | — | EP | disclosed |
| US-20060230551-A1 | Dye compositions for anisotropic dye films, anisotropic dye films and polarizing elements | MITSUBISHI CHEMICAL CORPORATION (JP) | 2006-10-19 | — | — | US | disclosed |
| EP-1707995-A1 | DYE COMPOSITION FOR ANISOTROPIC DYE FILM, ANISOTROPIC DYE FILM AND POLARIZER | Mitsubishi Chemical Corporation (JP) | 2006-10-04 | — | — | EP | disclosed |
| EP-1576208-A2 | BRIGHTENER FOR ZINC-NICKEL PLATING BATH | Taskem Inc. (US) | 2005-09-21 | — | — | EP | disclosed |
| WO-2005078163-A1 | TERNARY AND QUATERNARY ALLOYS TO REPLACE CHROMIUM | TASKEM, INC. (US) | 2005-08-25 | — | — | WO | disclosed |
| US-20050173255-A1 | Electroplated quaternary alloys | TASKEM, INC. | 2005-08-11 | — | — | US | disclosed |
| US-20050173254-A1 | Nickel cobalt boron ternary alloys | TASKEM, INC. | 2005-08-11 | — | — | US | disclosed |
| WO-2003006360-A2 | BRIGHTENER FOR ZINC-NICKEL PLATING BATH | TASKEM INC. (US) | 2003-01-23 | — | — | WO | disclosed |
| US-6468411-B1 | CARBOXYLIC ACID, SALT OR ESTER SUBSTITUTED N-METHYLPYRIDINE AND AN ALIPHATIC AMINE SUCH AS POLYETHYLENEIMINE; PRODUCING MIRROR BRIGHT ZINC AND NICKEL ALLOY DEPOSITS; NONBLISTERING, NONDECOMPOSING | TASKEM INC. | 2002-10-22 | — | — | US | disclosed |