SCHEMBL28034640

C=C(C)C(=O)OCCCC(=O)CC(=O)[O-].C=C(C)C(=O)OCCCC(=O)CC(=O)[O-].C=C(C)C(=O)OCCCC(=O)CC(=O)[O-].C=C(C)C(=O)OCCCC(=O)CC(=O)[O-].[Zr+4]

nearest known ligand 0.50

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	3/20	0.50

▸	THRB	P10828	1/20	0.43

▸	POLB	P06746	1/20	0.39

▸	APEX1	P27695	1/20	0.39

▸	HTT	P42858	1/20	0.39

▸	TDP1	Q9NUW8	1/20	0.39

▸	ALDH1A1	P00352	2/20	0.36

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
SCHEMBL15655553	0.97	TSHR (0.50)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL532367	0.97	TSHR (0.50)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL1436455	0.97	TSHR (0.50)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL6762330	0.94	TSHR (0.45)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL7630614	0.93	TSHR (0.51)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL136839	0.91	TSHR (0.45)	TSHRTHRBPOLBAPEX1HTT
Isopropyl Alcohol SCHEMBL30043507	0.91	TSHR (0.45)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL28638019	0.88	TSHR (0.43)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL28635731	0.86	TSHR (0.41)	TSHRTHRBPOLBAPEX1HTT
SCHEMBL4135037	0.84	TSHR (0.55)	TSHRTHRBPOLBAPEX1HTT

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-103154817-B	Direct description type waterless lithographic plate	TORAY INDUSTRIES, INC. (JP)	2015-11-25	—	—	CN	disclosed