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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5307293 | 0.80 | — | — | |
| SCHEMBL95260 | 0.73 | — | — | |
| SCHEMBL11583637 | 0.68 | — | — | |
| SCHEMBL10457542 | 0.67 | LMNA (0.43) | — | |
| SCHEMBL19258 | 0.67 | — | — | |
| SCHEMBL9722451 | 0.67 | — | — | |
| SCHEMBL9722374 | 0.67 | LMNA (0.43) | — | |
| SCHEMBL9722398 | 0.67 | LMNA (0.43) | — | |
| SCHEMBL10788720 | 0.67 | — | — | |
| SCHEMBL8934228 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116023786-B | Self-repairing mixed silicon rubber and preparation and self-repairing method thereof | 山东东岳有机硅材料股份有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-116023786-A | Self-repairing mixed silicon rubber and preparation and self-repairing method thereof | 山东东岳有机硅材料股份有限公司 | 2023-04-28 | — | — | CN | disclosed |