⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27429807 | 0.67 | — | — | |
| SCHEMBL8106142 | 0.48 | CYP3A4 (0.54) | — | |
| SCHEMBL238022 | 0.48 | LDHA (0.48) | — | |
| SCHEMBL31405547 | 0.47 | AKR1C4 (0.42) | — | |
| SCHEMBL6909095 | 0.47 | LDHA (0.47) | — | |
| SCHEMBL6915568 | 0.47 | LDHA (0.47) | — | |
| Hydrochloric Acid SCHEMBL5037307 | 0.47 | CYP3A4 (0.52) | — | |
| SCHEMBL6909091 | 0.47 | LDHA (0.47) | — | |
| SCHEMBL6913206 | 0.47 | LDHA (0.47) | — | |
| Hydrochloric Acid SCHEMBL5042476 | 0.47 | CYP3A4 (0.52) | — |
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 2 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 |
| WO-1995021171-A1 | TRICYCLIC DERIVATIVES AND THEIR USE AS ANTI-CANCER AGENTS | UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) | 1995-08-10 | — | — | WO | disclosed |