⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1189699 | 0.74 | — | — | |
| SCHEMBL26384980 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1190602 | 0.72 | SOS1 (0.79) | — | |
| Hydrochloric Acid SCHEMBL27088024 | 0.72 | SOS1 (0.79) | — | |
| SCHEMBL25139450 | 0.67 | — | — | |
| SCHEMBL14161267 | 0.67 | — | — | |
| SCHEMBL17307620 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL31076497 | 0.65 | SOS1 (0.63) | — | |
| SCHEMBL14826667 | 0.65 | SOS1 (1.00) | — | |
| SCHEMBL6012735 | 0.65 | SOS1 (0.76) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021078021-A1 | SMALL MOLECULAR COMPOUND | 嘉兴特科罗生物科技有限公司 | 2021-04-29 | — | — | WO | disclosed |