⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8475635 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL8476745 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL8478081 | 0.78 | — | — | |
| SCHEMBL8477853 | 0.74 | HCAR3 (0.30) | — | |
| SCHEMBL8477060 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL8476120 | 0.70 | ABCC8 (0.40) | — | |
| SCHEMBL8478649 | 0.69 | KDM6B (0.31) | — | |
| SCHEMBL8719192 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL720878 | 0.58 | ALDH1A1 (0.42) | — | |
| SCHEMBL8623804 | 0.58 | KDM6B (0.40) | — |
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-5889002-A | CENTRAL NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; ENDOCRINAL DISEASES | NOVO NORDISK A/S (DK) | 1999-03-30 | — | — | US | disclosed |