⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12533343 | 0.76 | — | — | |
| SCHEMBL26477013 | 0.74 | — | — | |
| SCHEMBL6178089 | 0.74 | — | — | |
| SCHEMBL4947063 | 0.72 | LMNA (0.34) | — | |
| SCHEMBL17048682 | 0.72 | — | — | |
| SCHEMBL7952551 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL9345698 | 0.72 | — | — | |
| SCHEMBL18408739 | 0.70 | — | — | |
| SCHEMBL2843099 | 0.70 | — | — | |
| SCHEMBL6609553 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998023618-A1 | 2,3,4,7-TETRAHYDROPYRIDOINDAZOLE[1,4] BENZODIAZEPINE DERIVATIVES HAVING ANTITUMOR ACTIVITY | F.HOFFMANN-LA ROCHE AG (CH) | 1998-06-04 | — | — | WO | disclosed |