⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28237095 | 0.84 | — | — | |
| SCHEMBL11390221 | 0.81 | — | — | |
| SCHEMBL27892059 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL6993586 | 0.79 | — | — | |
| SCHEMBL16344279 | 0.77 | — | — | |
| SCHEMBL253593 | 0.77 | — | — | |
| SCHEMBL15189923 | 0.77 | — | — | |
| SCHEMBL11393563 | 0.77 | — | — | |
| Furan SCHEMBL27911701 | 0.75 | MAPK1 (0.32) | — | |
| SCHEMBL28304425 | 0.75 | ALDH1A1 (0.32) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3978497-A1 | FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-04-06 | — | — | EP | disclosed |
| CN-103648278-B | Biocide compositions | 考格尼斯知识产权管理有限责任公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-102007097-B | Herbicidally active cyclic diketones and derivatives thereof | SYNGENTA PARTICIPATIONS AG | 2014-07-23 | — | — | CN | disclosed |
| CN-101855225-B | Tricyclic bridged cyclopentanedione derivatives as herbicides | SYNGENTA LTD | 2014-01-08 | — | — | CN | disclosed |
| CN-101918386-B | 4-phenylpyrane-3,5-diones, 4-phenylthiopyrane-3,5-diones and 2-phenylcyclohexane-1,3,5-triones as herbicides | SYNGENTA LTD | 2013-11-13 | — | — | CN | disclosed |
| CN-101679177-B | Herbicidally active bicyclic 1,3-dione compounds | SYNGENTA LTD | 2013-08-21 | — | — | CN | disclosed |
| CN-101835781-B | Herbicide | SYNGENTA LTD | 2013-07-24 | — | — | CN | disclosed |
| CN-101778834-B | Herbicide | SYNGENTA LTD | 2013-02-06 | — | — | CN | disclosed |
| CN-100577160-C | Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same | SERVIER LAB | 2010-01-06 | — | — | CN | disclosed |
| CN-101578046-A | herbicidal composition | ISAGRO SPA (IT) | 2009-11-11 | — | — | CN | disclosed |
| CN-1921848-A | Novel azabicyclo derivatives, preparation method thereof and pharmaceutical compositions containing same | SERVIER LAB (FR) | 2007-02-28 | — | — | CN | disclosed |
| EP-0734378-A1 | AMINOSULPHONYL-PHENYL-1H-PYRROLE DERIVATIVES, METHOD OF THEIR PREPARATION AND THEIR USE | SMITHKLINE BEECHAM PLC (GB) | 1996-10-02 | — | — | EP | disclosed |