⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9871779 | 0.74 | — | — | |
| SCHEMBL9199899 | 0.67 | — | — | |
| SCHEMBL30301543 | 0.63 | NR1H2 (0.40) | — | |
| SCHEMBL6595132 | 0.61 | PARP1 (0.31) | — | |
| SCHEMBL18948585 | 0.61 | POLB (0.44) | — | |
| SCHEMBL21605827 | 0.61 | POLB (0.35) | — | |
| SCHEMBL18411014 | 0.60 | — | — | |
| SCHEMBL5231364 | 0.60 | TACR1 (0.49) | — | |
| SCHEMBL5798273 | 0.60 | DDB1 (0.41) | — | |
| Alcohol SCHEMBL27484758 | 0.59 | SOAT1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1204660-B1 | SEROTONERGIC BENZOTHIOPHENES | LILLY CO ELI (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1204659-B1 | SEROTONERGIC BENZOFURANS | LILLY CO ELI (US) | 2003-11-26 | — | — | EP | disclosed |