⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8607313 | 0.88 | — | — | |
| SCHEMBL25043621 | 0.87 | — | — | |
| SCHEMBL8605940 | 0.86 | KCNH2 (0.35) | — | |
| SCHEMBL3341370 | 0.82 | — | — | |
| SCHEMBL17320492 | 0.82 | — | — | |
| SCHEMBL19645693 | 0.82 | KCNH2 (0.31) | — | |
| SCHEMBL15901088 | 0.80 | — | — | |
| SCHEMBL18221644 | 0.80 | NCF1 (0.38) | — | |
| SCHEMBL7528266 | 0.77 | — | — | |
| SCHEMBL17484513 | 0.77 | KDM4E (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110404587-A | A kind of support type cluster catalyst and its preparation and application | UNIV ANHUI | 2019-11-05 | — | — | CN | claimed |
| CN-109970529-A | A kind of preparation method of 3- cyclopropyl rings butanone | 上海卡洛化学有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-102675326-B | Preparation method of 3,4-dihydrobenzene benzopyran [3,4-c] pyrazole tricyclic compound | UNIV EAST CHINA SCIENCE & TECH | 2014-08-20 | — | — | CN | disclosed |
| US-20080207616-A1 | Quinoxalines as B Baf Inhhibitors | ASTRAZENECA AB (SE) | 2008-08-28 | — | — | US | disclosed |
| CN-1188471-A | 1,4-disubstituted piepridine derivatives | BANYU PHARMA CO LTD (JP) | 1998-07-22 | — | — | CN | disclosed |