⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14988 | 0.96 | — | — | |
| SCHEMBL28359515 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29165185 | 0.93 | — | — | |
| SCHEMBL27666488 | 0.93 | — | — | |
| SCHEMBL28907562 | 0.93 | — | — | |
| SCHEMBL38169 | 0.86 | — | — | |
| SCHEMBL28660527 | 0.84 | — | — | |
| SCHEMBL8376609 | 0.84 | TRPV1 (0.44) | — | |
| SCHEMBL28511778 | 0.84 | — | — | |
| SCHEMBL9212876 | 0.84 | FAAH (0.50) | — |
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-108690044-A | α-is unsubstituted or fluorine-substituted thiophene condenses Benzotriazole Derivative and its polymer | 武汉大学 | 2018-10-23 | — | — | CN | claimed |
| CN-108690044-A | α-is unsubstituted or fluorine-substituted thiophene condenses Benzotriazole Derivative and its polymer | 武汉大学 | 2018-10-23 | — | — | CN | disclosed |