SCHEMBL7198339

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.CCC1=Cc2c(C(C)C)cccc2C1[Zr]

nearest known ligand 0.39

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.39

▸	CYP3A4	P08684	1/20	0.39

▸	CYP2C9	P11712	1/20	0.39

▸	TSHR	P16473	1/20	0.39

▸	CYP2C19	P33261	1/20	0.39

▸	HSP90AA1	P07900	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
SCHEMBL7202367	0.86	CYP1A2 (0.36)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7205074	0.84	CYP1A2 (0.39)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7206278	0.69	CYP1A2 (0.36)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL5697222	0.67	BRD4 (0.32)	—
SCHEMBL27504508	0.66	CYP3A4 (0.43)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL241470	0.66	HSP90AA1 (0.62)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29671062	0.66	HSP90AA1 (0.62)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29370116	0.66	HSP90AA1 (0.62)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7202153	0.65	CYP1A2 (0.34)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL27987522	0.63	GABRA1 (0.33)	CYP1A2CYP3A4TSHR

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1294734-A1	METHOD FOR THE SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES	Basell Polyolefine GmbH (DE)	2003-03-26	—	—	EP	disclosed
WO-2002000672-A1	METHOD FOR THE SELECTIVE PRODUCTION OF RACEMIC METALLOCENE COMPLEXES	BASELL POLYOLEFINE GMBH (DE)	2002-01-03	—	—	WO	disclosed