SCHEMBL19215420

C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NC1CC(C)(C)CC(C)(NC(C)=O)C1)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	1/20	0.37

▸	ALDH1A1	P00352	1/20	0.35

▸	TP53	P04637	1/20	0.35

▸	CYP3A4	P08684	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	HIF1A	Q16665	1/20	0.35

▸	THRB	P10828	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.

Compound	similarity	top predicted	shared targets
SCHEMBL26034102	0.93	TSHR (0.41)	TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL24511907	0.91	TSHR (0.40)	TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL26568225	0.91	TSHR (0.35)	TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL26568227	0.89	TSHR (0.35)	TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL26550099	0.88	THRB (0.33)	TSHRTHRB
SCHEMBL26550528	0.86	ALDH1A1 (0.35)	TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL26755158	0.85	THRB (0.30)	THRB
SCHEMBL26299068	0.85	THRB (0.31)	TSHRTHRB
SCHEMBL26550599	0.84	THRB (0.32)	TSHRALDH1A1TP53CYP3A4MAPK1
SCHEMBL22430779	0.83	TSHR (0.56)	TSHRALDH1A1TP53CYP3A4MAPK1

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
US-20170229735-A1	GEL POLYMER ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME	LG CHEM, LTD. (KR)	2017-08-10	—	—	US	disclosed