⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL466394 | 0.85 | BCL2L1 (0.50) | — | |
| SCHEMBL5489112 | 0.85 | BCL2L1 (0.56) | — | |
| SCHEMBL6570394 | 0.83 | BCL2L1 (0.54) | — | |
| SCHEMBL16403046 | 0.73 | PNMT (0.61) | — | |
| SCHEMBL16403035 | 0.73 | CD44 (0.61) | — | |
| SCHEMBL7761852 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL16759634 | 0.69 | CD44 (0.42) | — | |
| SCHEMBL15330692 | 0.69 | ALDH1A1 (0.50) | — | |
| SCHEMBL29950657 | 0.69 | ALDH1A1 (0.50) | — | |
| Formaldehyde SCHEMBL17491106 | 0.69 | BCL2L1 (0.65) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0534859-A1 | Benzocyclobutyl- or indanyl-alkyl-amino-alkyl substituted 3-benzazepin-2-ones useful in the treatment of cardiovascular diseases | ADIR ET COMPAGNIE (FR) | 1993-03-31 | — | — | EP | disclosed |