⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1065534 | 0.88 | — | — | |
| SCHEMBL3573061 | 0.86 | — | — | |
| SCHEMBL2077030 | 0.69 | — | — | |
| SCHEMBL1140316 | 0.69 | — | — | |
| SCHEMBL6065966 | 0.69 | — | — | |
| SCHEMBL30601954 | 0.69 | — | — | |
| SCHEMBL20699278 | 0.67 | — | — | |
| SCHEMBL10729601 | 0.67 | — | — | |
| SCHEMBL9643382 | 0.66 | — | — | |
| SCHEMBL131823 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116874358-B | Synthesis method of prothioconazole intermediate 2-chlorobenzyl- (1-chlorocyclopropyl) ketone | 辽宁众辉生物科技有限公司 | 2024-08-02 | — | — | CN | disclosed |
| CN-116874358-A | Clean synthesis method of prothioconazole intermediate 2-chlorobenzyl- (1-chlorocyclopropyl) ketone | 辽宁众辉生物科技有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-109651298-B | Preparation method of 2- (2-chlorobenzyl) -2- (1-chloromethyl) oxirane | 利民化学有限责任公司 | 2020-11-27 | — | — | CN | disclosed |
| CN-106278890-A | A kind of synthetic method of 1 (1 halogenated cyclopropyl) formic acid ester compound | 西安近代化学研究所 | 2017-01-04 | — | — | CN | disclosed |