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 | |
|---|---|---|---|---|
| SCHEMBL134095 | 0.82 | — | — | |
| Water SCHEMBL20292 | 0.82 | — | — | |
| Lithium Ion SCHEMBL3606416 | 0.67 | — | — | |
| Water SCHEMBL15019930 | 0.67 | — | — | |
| Water SCHEMBL11336527 | 0.67 | — | — | |
| Water SCHEMBL20970284 | 0.67 | — | — | |
| Water SCHEMBL15901531 | 0.67 | — | — | |
| Silver SCHEMBL1052053 | 0.67 | — | — | |
| SCHEMBL1438487 | 0.67 | — | — | |
| SCHEMBL9230917 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107085020-A | A kind of molybdenum disulfide/indium hydroxide composite air-sensitive sensing material and preparation method and application | 黑龙江大学 | 2017-08-22 | — | — | CN | claimed |
| CN-114751655-B | Indium sulfide-based heterostructure film electrode and preparation method thereof | 重庆大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-114751655-A | Indium sulfide-based heterostructure thin film electrode and preparation method thereof | 重庆大学 | 2022-07-15 | — | — | CN | disclosed |
| WO-2011044382-A1 | POROUS SUBSTRATES FOR FABRICATION OF THIN FILM SOLAR CELLS | REEL SOLAR INCORPORATED (US) | 2011-04-14 | — | — | WO | disclosed |
| US-20100273287-A1 | METHODS FOR INTEGRATING QUANTUM WINDOW STRUCTURES INTO SOLAR CELLS | REEL SOLAR, INC. (US) | 2010-10-28 | — | — | US | disclosed |