SCHEMBL9348390

SCHEMBL9348390

C=CC(F)(F)OCCCCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
TSHR P16473 5/20 0.34
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
CA12 O43570 1/20 0.30
FAAH O00519 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10339539 0.76 TSHR (0.36) CES2CES1TSHRHPGDALDH1A1
SCHEMBL6934795 0.75 CES2 (0.41) CES2CES1TSHRCA1CA2
SCHEMBL2819121 0.74 TSHR (0.39) CES1TSHRHPGDALDH1A1CA1
SCHEMBL10494265 0.74 TSHR (0.39) CES2TSHRCA1CA2CA9
SCHEMBL7935122 0.74 TSHR (0.34) TSHRHPGDALDH1A1CA1CA2
SCHEMBL1608819 0.74 CES2 (0.43) CES2CES1TSHRCA1CA2
SCHEMBL7937308 0.72 TSHR (0.38) CES2CES1TSHRHPGDCA1
SCHEMBL13303172 0.72 CES1 (0.47) CES2CES1TSHRCA1CA2
SCHEMBL29258947 0.72 CES1 (0.47) CES2CES1TSHRCA1CA2
SCHEMBL10059143 0.72 CES1 (0.47) CES2CES1TSHRCA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428706-B1 PERFLUOROVINYL COMPOUNDS DOW CHEMICAL CO (US) 1994-07-13 EP disclosed
US-5023380-A Monomer for thermoplastic resin THE DOW CHEMICAL COMPANY (US) 1991-06-11 US disclosed
US-4423249-A APROTIC SOLVENT, METAL HYDROCARBOXIDE, HALOFLUOROALKYL COMPOUND, ETHERIFICATION THE DOW CHEMICAL COMPANY (US) 1983-12-27 US disclosed