⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11796295 | 0.91 | CNR2 (0.33) | — | |
| SCHEMBL11797540 | 0.87 | CNR2 (0.41) | — | |
| SCHEMBL11790275 | 0.87 | CNR1 (0.33) | — | |
| SCHEMBL11739031 | 0.85 | CNR2 (0.41) | — | |
| SCHEMBL11788011 | 0.85 | CNR1 (0.33) | — | |
| SCHEMBL11788188 | 0.85 | CNR1 (0.30) | — | |
| SCHEMBL11791810 | 0.85 | CNR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL11790011 | 0.81 | CNR1 (0.30) | — | |
| SCHEMBL11874761 | 0.81 | CNR1 (0.30) | — | |
| Tinabinol SCHEMBL29538185 | 0.80 | CNR2 (0.39) | — |
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-3940421-A | Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans | ARTHUR D. LITTLE, INC. (US) | 1976-02-24 | — | — | US | disclosed |