⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14059628 | 0.84 | CYP3A4 (0.38) | — | |
| SCHEMBL186004 | 0.80 | CYP3A4 (0.53) | — | |
| SCHEMBL14059622 | 0.78 | CYP3A4 (0.47) | — | |
| SCHEMBL29026226 | 0.77 | — | — | |
| SCHEMBL14059573 | 0.77 | CA12 (0.43) | — | |
| SCHEMBL27809819 | 0.71 | — | — | |
| SCHEMBL897065 | 0.69 | CYP3A4 (0.39) | — | |
| SCHEMBL14060419 | 0.69 | CYP3A4 (0.39) | — | |
| SCHEMBL14059287 | 0.68 | LMNA (0.41) | — | |
| SCHEMBL7961188 | 0.67 | CYP3A4 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114105731-B | Preparation method of 2-ethyl-1-butanol | 蚌埠中实化学技术有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-114105731-B | Preparation method of 2-ethyl-1-butanol | 蚌埠中实化学技术有限公司 | 2023-06-30 | — | — | CN | disclosed |
| EP-2287212-B1 | A catalyst component for ethylene polymerization, preparation thereof and a catalyst comprising the catalyst component | CHINA PETROLEUM & CHEMICAL (CN) | 2014-03-26 | — | — | EP | disclosed |
| US-8268945-B2 | Catalyst component for ethylene polymerization, preparation thereof, and a catalyst comprising the catalyst component | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2012-09-18 | — | — | US | disclosed |
| US-20110046325-A1 | CATALYST COMPONENT FOR ETHYLENE POLYMERIZATION, PREPARATION THEREOF, AND A CATALYST COMPRISING THE CATALYST COMPONENT | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2011-02-24 | — | — | US | disclosed |
| EP-2287212-A1 | A catalyst component for ethylene polymerization, preparation thereof and a catalyst comprising the catalyst component | China Petroleum & Chemical Corporation (CN) | 2011-02-23 | — | — | EP | disclosed |