⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3293710 | 0.80 | — | — | |
| SCHEMBL13074417 | 0.72 | AR (0.52) | — | |
| SCHEMBL3293708 | 0.69 | — | — | |
| SCHEMBL5154501 | 0.68 | — | — | |
| SCHEMBL11392877 | 0.68 | — | — | |
| SCHEMBL6789604 | 0.68 | — | — | |
| SCHEMBL7623112 | 0.64 | KDM4E (0.36) | — | |
| SCHEMBL19284330 | 0.64 | — | — | |
| SCHEMBL27260916 | 0.64 | AR (0.37) | — | |
| SCHEMBL17603174 | 0.62 | MCL1 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372982-B1 | Pyrrole insecticides | RHONE POULENC AGROCHIMIE (FR) | 1997-07-02 | — | — | EP | claimed |
| CN-106117193-B | New Hete rocyclic derivatives and its application in neurogenic disease treatment | 诺华股份有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-106795177-B | BACE1 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-23 | — | — | CN | disclosed |
| CN-107793417-A | Pyrrolo- [2,3 d] pyrimidines and its salt, and preparation method and pharmaceutical usage | 复旦大学 | 2018-03-13 | — | — | CN | disclosed |