⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31163019 | 0.80 | — | — | |
| SCHEMBL9357118 | 0.76 | — | — | |
| SCHEMBL705110 | 0.74 | — | — | |
| SCHEMBL8423462 | 0.70 | — | — | |
| SCHEMBL15526506 | 0.70 | — | — | |
| SCHEMBL705161 | 0.70 | — | — | |
| SCHEMBL708600 | 0.70 | — | — | |
| SCHEMBL1107768 | 0.67 | — | — | |
| SCHEMBL11240395 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL6117195 | 0.67 | ALDH1A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119504697-A | Cyclohexadiene derivative and preparation method thereof | 博璞诺（上海）医药科技发展有限公司 | 2025-02-25 | — | — | CN | claimed |
| CN-119504697-A | Cyclohexadiene derivative and preparation method thereof | 博璞诺（上海）医药科技发展有限公司 | 2025-02-25 | — | — | CN | disclosed |
| CN-111217850-B | Preparation method of silicon-based ester compound, electrolyte containing silicon-based ester compound and secondary battery | 微宏先进材料公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-113031399-A | Resin composition, cured product, and siloxane-modified (meth) acrylic resin | 东京应化工业株式会社 | 2021-06-25 | — | — | CN | disclosed |
| CN-113024725-A | Curable composition, cured product, (meth) acrylic resin, and compound | 东京应化工业株式会社 | 2021-06-25 | — | — | CN | disclosed |
| CN-111217850-A | Preparation method of silicon-based ester compound, electrolyte containing silicon-based ester compound and secondary battery | 微宏动力系统（湖州）有限公司 | 2020-06-02 | — | — | CN | disclosed |
| EP-2508504-B1 | PROCESS FOR PREPARATION OF CYCLOALKANEDICARBOXYLIC ACID MONOESTERS | SUMITOMO CHEMICAL CO (JP) | 2016-04-13 | — | — | EP | disclosed |
| EP-2508504-A1 | PROCESS FOR PREPARATION OF CYCLOALKANEDICARBOXYLIC ACID MONOESTERS | Sumitomo Chemical Co., Ltd (JP) | 2012-10-10 | — | — | EP | disclosed |
| US-20030055297-A1 | An alkyl, cycloalkyl, arylalkyl dihydroxy compound useful as intermediates; a cost-effective preparation | ABBOTT LABORATORIES | 2003-03-20 | — | — | US | disclosed |
| WO-2002081441-A1 | PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRROLIDINE NEURAMINIDASE INHIBITORS | ABBOTT LABORATORIES (US) | 2002-10-17 | — | — | WO | disclosed |