SCHEMBL28074197

C=CC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	7/20	0.52

▸	ALDH1A1	P00352	4/20	0.52

▸	CYP3A4	P08684	2/20	0.52

▸	HPGD	P15428	1/20	0.47

▸	TP53	P04637	3/20	0.43

▸	HIF1A	Q16665	3/20	0.43

▸	HSD17B10	Q99714	1/20	0.43

▸	THRB	P10828	2/20	0.37

▸	MAPK1	P28482	1/20	0.36

▸	SMN1; SMN2	Q16637	1/20	0.36

▸	MEN1	O00255	1/20	0.32

▸	KMT2A	Q03164	1/20	0.32

▸	ATM	Q13315	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
SCHEMBL7762927	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL20787722	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14128872	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL27660095	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28019388	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28356458	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9189573	1.00	TSHR (0.52)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL12200005	0.98	TSHR (0.53)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10051588	0.95	TSHR (0.55)	TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29429551	0.94	TSHR (0.46)	TSHRALDH1A1CYP3A4HPGDTP53

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-105705536-A	Hydrophilic-oleophobic copolymer composition and uses thereof	通用电气公司	2016-06-22	—	—	CN	disclosed