SCHEMBL9615019

SCHEMBL9615019

O=C(O)c1ccc(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
THRB P10828 1/20 0.38
FAAH O00519 1/20 0.36
EPHX2 P34913 1/20 0.36
SRD5A2 P31213 3/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ELANE P08246 1/20 0.35
NR4A2 P43354 3/20 0.35
NR4A1 P22736 1/20 0.33
NR4A3 Q92570 1/20 0.33
STS P08842 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
Hydrochloric Acid SCHEMBL10487854 0.99 HSD17B10 (0.43) HSD17B10TSHRALDH1A1CA1CA2
SCHEMBL10576681 0.98 HSD17B10 (0.45) HSD17B10TSHRALDH1A1CA1CA2
SCHEMBL9491128 0.87 THRB (0.33) HSD17B10CA1CA2THRBELANE
Potassium Ion SCHEMBL11095737 0.86 CA1 (0.38) CA1CA2THRBELANESTS
SCHEMBL11093747 0.86 CA2 (0.41) CA1CA2THRBSTS
SCHEMBL1635999 0.85 THRB (0.38) CA1CA2THRB
Hydrochloric Acid SCHEMBL9483846 0.84 THRB (0.37) CA1CA2THRB
Hydrochloric Acid SCHEMBL10339153 0.84 THRB (0.37) CA1CA2THRB
SCHEMBL1635973 0.84 THRB (0.35) THRBKMT2A
SCHEMBL28997433 0.83 THRB (0.35) ALDH1A1CA1CA2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1022843-A None JP disclosed
JP-4112881-A None JP disclosed
JP-H04112881-A FLUORINE-CONTAINING SORBITAN ESTER DERIVATIVE NEOS CO LTD 1992-04-14 JP disclosed
EP-0275558-B1 PERFLUOROALKENYLOXYBENZOIC ACID DERIVATIVE, PROCESS FOR PREPARING THE SAME AND PREPOLYMER OF THE DERIVATIVE DAIKIN INDUSTRIES, LIMITED (JP) 1991-07-17 EP disclosed
JP-S6422843-A FLUORINE-CONTAINING CARBOXYLIC ACID UNSATURATED ESTER NEOS KK 1989-01-25 JP disclosed
US-4788321-A ALLYL POLYMERS, HEAT AND WATER RESISTANCE DAIKIN INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0275558-A1 Perfluoroalkenyloxybenzoic acid derivative, process for preparing the same and prepolymer of the derivative DAIKIN INDUSTRIES, LIMITED (JP) 1988-07-27 EP disclosed