SCHEMBL8995504

SCHEMBL8995504

CC1(C)C(C=C(C(F)(F)F)C(F)(F)F)C1OC=O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11290829 0.84
SCHEMBL10341466 0.84
SCHEMBL7173074 0.82 MEN1 (0.41)
SCHEMBL10730289 0.82
SCHEMBL3367420 0.82 MEN1 (0.41)
SCHEMBL7603511 0.82 MEN1 (0.41)
SCHEMBL8027463 0.82 MEN1 (0.41)
SCHEMBL11486525 0.82
SCHEMBL11492765 0.82 MEN1 (0.41)
SCHEMBL9520324 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504112-A INSECTICIDE, PESTICIDE ROUSSEL UCLAF (FR) 1996-04-02 US disclosed
US-4970330-A INSECTICIDES, PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-11-13 US disclosed
US-4780252-A FORMING SALT WITH SINGLE ISOMERS OF OPTICAL ACTIVE AMINE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-25 US disclosed
US-4683089-A SEPARATION OF OPTICAL ISOMERS, INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1987-07-28 US disclosed
EP-0010875-B1 PROCESS OF SEPARATING CIS AND TRANS ISOMERS OF CYCLOPROPANE CARBOXYLIC ACIDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-22 EP disclosed
EP-0010874-B1 PROCESS FOR SEPARATING OPTICAL ISOMERS OF SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACIDS; AMINE SALTS OF SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACIDS; A SUBSTITUTED CYCLOPROPANE CARBOXYLIC ACID IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-22 EP disclosed
US-4306077-A PRECIPITATION WITH ACID IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-12-15 US disclosed
EP-0010874-A1 Process for separating optical isomers of substituted cyclopropane carboxylic acids; amine salts of substituted cyclopropane carboxylic acids; a substituted cyclopropane carboxylic acid IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-14 EP disclosed
EP-0010875-A1 Process of separating cis and trans isomers of cyclopropane carboxylic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-05-14 EP disclosed