⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9116579 | 0.62 | — | — | |
| SCHEMBL7963227 | 0.60 | LMNA (0.36) | — | |
| SCHEMBL7966091 | 0.59 | — | — | |
| SCHEMBL27429807 | 0.57 | — | — | |
| SCHEMBL4184727 | 0.53 | GABRP (0.47) | — | |
| SCHEMBL844688 | 0.53 | CYP3A4 (0.47) | — | |
| SCHEMBL11766398 | 0.52 | CYP3A4 (0.53) | — | |
| SCHEMBL15999757 | 0.52 | ALDH1A1 (0.53) | — | |
| SCHEMBL27814234 | 0.51 | LMNA (0.45) | — | |
| SCHEMBL18432311 | 0.51 | PDGFRB (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6201129-B1 | ANTICARCINOGENIC AGENTS | UNIV. COLLEGE CARDIFF CONSULTANTS (GB) | 2001-03-13 | — | — | US | disclosed |
| EP-0807113-A1 | TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | University College Cardiff Consultants Limited (GB) | 1997-11-19 | — | — | EP | disclosed |
| WO-1995021171-A1 | TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |