⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3644701 | 0.81 | LMNA (0.38) | — | |
| SCHEMBL10617955 | 0.81 | HPGD (0.35) | — | |
| Hydrochloric Acid SCHEMBL10702732 | 0.79 | HPGD (0.34) | — | |
| SCHEMBL10931672 | 0.78 | — | — | |
| SCHEMBL10703026 | 0.76 | APLNR (0.31) | — | |
| SCHEMBL21880048 | 0.72 | — | — | |
| SCHEMBL6283415 | 0.72 | — | — | |
| SCHEMBL6760474 | 0.72 | ALOX15 (0.30) | — | |
| SCHEMBL8979647 | 0.72 | MEN1 (0.39) | — | |
| SCHEMBL10454948 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4250171-A | OF BEETLES IN STORED GRAIN, A-CYANO-3-PHENOXYBENZYL 2,2-DIMETHYL-3-(2,2-DIBROMOVINYL)CYCLOPROPANE-1-CARBOXYLATE | BURROUGHS WELLCOME CO. (US) | 1981-02-10 | — | — | US | claimed |
| EP-0157000-A2 | Ester of cephalosporin derivatives | AMERICAN CYANAMID COMPANY (US) | 1985-10-09 | — | — | EP | disclosed |
| US-4542142-A | Insecticidal cyclopropane carboxylic acid derivatives with 3-unsaturated-side chain | ROUSSEL UCLAF (FR) | 1985-09-17 | — | — | US | disclosed |
| EP-0084652-B1 | OXADIAZINDIONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND SPIDERS | BASF Aktiengesellschaft (DE) | 1985-04-17 | — | — | EP | disclosed |