⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3953992 | 0.90 | ALDH1A1 (0.30) | — | |
| SCHEMBL8006773 | 0.85 | — | — | |
| SCHEMBL9534685 | 0.73 | — | — | |
| SCHEMBL28253819 | 0.72 | PDE4A (0.35) | — | |
| SCHEMBL64072 | 0.70 | CYP3A4 (0.33) | — | |
| SCHEMBL3952923 | 0.70 | — | — | |
| SCHEMBL3955049 | 0.68 | — | — | |
| SCHEMBL3908846 | 0.68 | — | — | |
| SCHEMBL6131635 | 0.68 | — | — | |
| SCHEMBL4553769 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0040761-A1 | 2-Nitroimidazole derivatives, their preparation, their use and compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-12-02 | — | — | EP | claimed |
| WO-2009033165-A1 | HYPOXIA ACTIVATED PRODRUGS OF BIS-ALKYLATING AGENTS | THRESHOLD PHARMACEUTICALS, INC. (US) | 2009-03-12 | — | — | WO | disclosed |
| EP-0040761-A1 | 2-Nitroimidazole derivatives, their preparation, their use and compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-12-02 | — | — | EP | disclosed |