⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27266647 | 0.75 | HTR2C (0.32) | — | |
| SCHEMBL27266754 | 0.74 | PNMT (0.40) | — | |
| SCHEMBL28559205 | 0.73 | VHL (0.38) | — | |
| SCHEMBL27703132 | 0.73 | BACE1 (0.35) | — | |
| SCHEMBL27267001 | 0.73 | KMT2A (0.35) | — | |
| SCHEMBL27548935 | 0.73 | CYP19A1 (0.33) | — | |
| SCHEMBL28703565 | 0.73 | VHL (0.41) | — | |
| SCHEMBL27265076 | 0.73 | PNMT (0.39) | — | |
| SCHEMBL27259036 | 0.71 | USP2 (0.45) | — | |
| SCHEMBL27462054 | 0.71 | TAS1R3 (0.30) | — |
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-1022105-C | Process for preparing dihydro benzothiophene | SCHELING CO (US) | 1993-09-15 | — | — | CN | disclosed |
| CN-86105964-A | Dihydrobenzo [ b ] thiophenes and formulations thereof for use as antifungal agents | — | 1987-03-11 | — | — | CN | disclosed |