⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10828662 | 1.00 | — | — | |
| SCHEMBL11506243 | 0.88 | — | — | |
| SCHEMBL9238840 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL10689140 | 0.84 | LMNA (0.36) | — | |
| SCHEMBL11216997 | 0.84 | LMNA (0.36) | — | |
| Hydrochloric Acid SCHEMBL9718743 | 0.82 | LMNA (0.35) | — | |
| SCHEMBL11062371 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL9797076 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL9516684 | 0.79 | PTGS2 (0.31) | — | |
| SCHEMBL11353005 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4709085-A | Cyclopropanation process | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-11-24 | — | — | US | disclosed |
| EP-0074792-B1 | ISOMER ENRICHMENT PROCESS FOR CYCLOPROPANE CARBOXYLATES | ICI AMERICAS INC. (US) | 1985-11-27 | — | — | EP | disclosed |
| US-4529813-A | Preparation of 2-halogeno-3-alkylvinylcyclobutan-1-one | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-16 | — | — | US | disclosed |
| EP-0074792-A1 | Isomer enrichment process for cyclopropane carboxylates | ICI AMERICAS INC. (US) | 1983-03-23 | — | — | EP | disclosed |
| US-4291176-A | Production of insecticidally active vinyl-cyclopropane carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-22 | — | — | US | disclosed |