⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21235951 | 0.70 | — | — | |
| SCHEMBL27600821 | 0.67 | — | — | |
| SCHEMBL14303077 | 0.64 | — | — | |
| SCHEMBL28138377 | 0.64 | — | — | |
| Acetonitrile SCHEMBL28122625 | 0.61 | — | — | |
| Water SCHEMBL28538081 | 0.54 | — | — | |
| SCHEMBL27835367 | 0.53 | — | — | |
| Acetonitrile SCHEMBL28029152 | 0.53 | — | — | |
| Chloromethane SCHEMBL28271946 | 0.53 | — | — | |
| SCHEMBL7893808 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1031543-C | N-phenylpyrazole derivatives | RHONE POULENC AGRICULTURE (GB) | 1996-04-17 | — | — | CN | disclosed |