⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11486407 | 0.85 | HPGD (0.33) | — | |
| SCHEMBL10935092 | 0.83 | TP53 (0.38) | — | |
| SCHEMBL14262852 | 0.74 | CA3 (0.30) | — | |
| SCHEMBL12138250 | 0.70 | NISCH (0.33) | — | |
| SCHEMBL4060558 | 0.69 | HPGD (0.30) | — | |
| SCHEMBL633223 | 0.69 | TP53 (0.48) | — | |
| SCHEMBL19937920 | 0.69 | AHR (0.48) | — | |
| SCHEMBL30816696 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL11862205 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL28757192 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4238611-A | Polysubstituted derivatives of 10-piperazinodibenzo (b,f) thiepine | SPOFA, UNITED PHARMACEUTICAL WORKS (CS) | 1980-12-09 | — | — | US | disclosed |