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 | |
|---|---|---|---|---|
| SCHEMBL27767480 | 0.88 | — | — | |
| SCHEMBL28952178 | 0.78 | — | — | |
| SCHEMBL28709203 | 0.78 | — | — | |
| Water SCHEMBL29094809 | 0.76 | — | — | |
| Water SCHEMBL28316137 | 0.76 | — | — | |
| Water SCHEMBL28196918 | 0.76 | — | — | |
| Water SCHEMBL28760604 | 0.74 | — | — | |
| SCHEMBL926041 | 0.74 | — | — | |
| SCHEMBL5166051 | 0.74 | — | — | |
| SCHEMBL1375045 | 0.74 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105882591-A | AIRBAG ASSEMBLY AND METHOD OF MAKING AND USING THE SAME | 通用汽车环球科技运作有限责任公司 | 2016-08-24 | — | — | CN | disclosed |