⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3029624 | 0.82 | GSK3B (0.30) | — | |
| SCHEMBL3027900 | 0.71 | GAA (0.38) | — | |
| SCHEMBL895 | 0.68 | GLA (0.37) | — | |
| SCHEMBL1256378 | 0.67 | KDM4C (0.35) | — | |
| SCHEMBL3103844 | 0.66 | — | — | |
| SCHEMBL10588673 | 0.66 | TYMP (0.37) | — | |
| SCHEMBL10588663 | 0.66 | TYMP (0.37) | — | |
| SCHEMBL710 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL27980803 | 0.66 | — | — | |
| SCHEMBL9139324 | 0.63 | — | — |
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-5190942-A | Benzoxazole and related heterocyclic substituted imidazole and benzimidazole derivatives | E. R. SQUIBB & SONS, INC. (US) | 1993-03-02 | — | — | US | disclosed |