⚠ 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 | |
|---|---|---|---|---|
| Pyrrole SCHEMBL27740236 | 1.00 | — | — | |
| Pyrrole SCHEMBL4758278 | 1.00 | — | — | |
| Pyrrole SCHEMBL29229959 | 1.00 | — | — | |
| Pyrrole SCHEMBL28838227 | 0.95 | — | — | |
| Pyrrole SCHEMBL31141492 | 0.95 | — | — | |
| Pyrrole SCHEMBL25257790 | 0.95 | — | — | |
| Fluoride SCHEMBL29580578 | 0.95 | TP53 (0.30) | — | |
| Pyrrole SCHEMBL29689225 | 0.95 | — | — | |
| Benzene SCHEMBL28839166 | 0.95 | TP53 (0.30) | — | |
| Pyrrole SCHEMBL27372867 | 0.95 | — | — |
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-1140713-A | Single synthetic method for trifluoromethyl pyrroles compound | SHANGHAI INST ORGANIC CHEM (CN) | 1997-01-22 | — | — | CN | disclosed |