⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8521035 | 1.00 | — | — | |
| SCHEMBL15134735 | 1.00 | — | — | |
| SCHEMBL8245418 | 0.90 | — | — | |
| SCHEMBL11942459 | 0.90 | — | — | |
| SCHEMBL13686684 | 0.90 | — | — | |
| Cyclohexene SCHEMBL11017505 | 0.85 | — | — | |
| SCHEMBL27725254 | 0.77 | CYP2D6 (0.35) | — | |
| SCHEMBL24111503 | 0.75 | — | — | |
| SCHEMBL1484812 | 0.75 | — | — | |
| SCHEMBL899412 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109232531-B | Preparation method of cabitinib | 安庆奇创药业有限公司 | 2020-06-16 | — | — | CN | claimed |
| CN-109232531-A | A kind of preparation method of the card than replacing Buddhist nun | 安庆奇创药业有限公司 | 2019-01-18 | — | — | CN | claimed |
| CN-106866624-A | It is a kind of to block than the chemical synthesis process for Buddhist nun | 济宁医学院 | 2017-06-20 | — | — | CN | claimed |
| CN-109232531-B | Preparation method of cabitinib | 安庆奇创药业有限公司 | 2020-06-16 | — | — | CN | disclosed |
| CN-109232531-A | A kind of preparation method of the card than replacing Buddhist nun | 安庆奇创药业有限公司 | 2019-01-18 | — | — | CN | disclosed |
| CN-106866624-B | It is a kind of to block than the chemical synthesis process for Buddhist nun | 济宁医学院 | 2017-12-26 | — | — | CN | disclosed |
| CN-106866624-A | It is a kind of to block than the chemical synthesis process for Buddhist nun | 济宁医学院 | 2017-06-20 | — | — | CN | disclosed |
| WO-2011032291-A1 | SELECTIVE CALCIUM CHANNEL MODULATORS | ZALICUS PHARMACEUTICALS LTD . (CA) | 2011-03-24 | — | — | WO | disclosed |
| WO-2010140636-A1 | ASYMMETRIC HYDROGENATION CATALYST | 高砂香料工業株式会社 (JP) | 2010-12-09 | — | — | WO | disclosed |