SCHEMBL8024226

SCHEMBL8024226

CCCCCC#CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PTPN7 P35236 5/20 0.39
HMGCR P04035 3/20 0.39
RECQL P46063 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 2/20 0.34
FAAH O00519 4/20 0.33
SLC22A2 O15244 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL2043689 0.98 PTPN7 (0.42) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL9548439 0.98 PTPN7 (0.42) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL23034432 0.81 LMNA (0.41) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL25735589 0.79 PTPN7 (0.39) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL15506096 0.79 PTPN7 (0.39) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL23015071 0.79 LMNA (0.32) LMNA
SCHEMBL23014741 0.78 CES1 (0.36) LMNAFAAHCES1CES2
SCHEMBL23014991 0.78 CES2 (0.37) LMNAMEN1USP2MAPTKMT2A
SCHEMBL28926115 0.75 LMNA (0.44) LMNAPTPN7HMGCRRECQLTDP1
SCHEMBL23034420 0.75 LMNA (0.44) LMNAPTPN7HMGCRRECQLTDP1

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815066-B1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS ALLIED SIGNAL INC (US) 2000-01-05 EP disclosed
WO-1999037610-A1 NOVEL CHEMICAL INTERMEDIATES BEARING A TRIFLUOROMETHYL GROUP ALLIEDSIGNAL INC. (US) 1999-07-29 WO disclosed
EP-0815066-A1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS AlliedSignal Inc. (US) 1998-01-07 EP disclosed
US-5654473-A Intermediates for the synthesis of trifluoromethylated organic compounds ALLIEDSIGNAL INC. (US) 1997-08-05 US disclosed
WO-1996028404-A1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF TRIFLUOROMETHYLATED ORGANIC COMPOUNDS ALLIEDSIGNAL INC. (US) 1996-09-19 WO disclosed