⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27367482 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL7041642 | 0.70 | — | — | |
| SCHEMBL4088733 | 0.70 | — | — | |
| SCHEMBL10444846 | 0.70 | — | — | |
| SCHEMBL1780017 | 0.70 | — | — | |
| SCHEMBL28269330 | 0.70 | — | — | |
| SCHEMBL2186511 | 0.70 | — | — | |
| SCHEMBL28188544 | 0.70 | — | — | |
| SCHEMBL22993416 | 0.65 | CYP2A6 (0.34) | — | |
| SCHEMBL14408900 | 0.65 | CYP19A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107778208-A | A kind of preparation method of polysubstituted pyrrole compound | 湖南华腾制药有限公司 | 2018-03-09 | — | — | CN | claimed |
| CN-107778208-A | A kind of preparation method of polysubstituted pyrrole compound | 湖南华腾制药有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-1039079-C | Pesticidal 1-arylpyrroles | RHONE POULENC AGROCHIMIE (FR) | 1998-07-15 | — | — | CN | disclosed |