⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL6437675 | 0.93 | APLNR (0.30) | — | |
| SCHEMBL8794770 | 0.83 | — | — | |
| SCHEMBL10924973 | 0.79 | — | — | |
| SCHEMBL16084399 | 0.79 | — | — | |
| SCHEMBL22693969 | 0.78 | — | — | |
| SCHEMBL8795633 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL16487319 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL17710011 | 0.72 | APLNR (0.42) | — | |
| SCHEMBL14284895 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL23768395 | 0.69 | CACNA1H (0.40) | — |
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-20020025906-A1 | Process for producing carbonyl or hydroxy compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-02-28 | — | — | US | disclosed |
| EP-0638543-B1 | Esters of 2,2-dimethyl 3-(3,3,3-trifluoro-1-propenyl) cyclopropanecarboxylic acid, their preparation and use as pesticides | ROUSSEL UCLAF (FR) | 1998-11-11 | — | — | EP | disclosed |
| EP-0557192-B1 | Pyrethrinoid esters derived from 6-trifluoromethyl benzyl alcohol, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1996-08-21 | — | — | EP | disclosed |
| EP-0638543-A1 | Esters of 2,2-dimethyl 3-(3,3,3-trifluoro-1-propenyl) cyclopropanecarboxylic acid, their preparation and use as pesticides | ROUSSEL UCLAF (FR) | 1995-02-15 | — | — | EP | disclosed |
| EP-0557192-A1 | Pyrethrinoid esters derived from 6-trifluoromethyl benzyl alcohol, process for their preparation and their use as pesticides | ROUSSEL UCLAF (FR) | 1993-08-25 | — | — | EP | disclosed |