SCHEMBL29762893

CC(C)(C)c1ccc(C(O)C(CO)(CO)C(O)(c2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1.OP(O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	CYP1A2	P05177	1/20	0.32

▸	CYP3A4	P08684	1/20	0.32

▸	CYP2C9	P11712	1/20	0.32

▸	TSHR	P16473	1/20	0.32

▸	CYP2C19	P33261	1/20	0.32

▸	TRPV1	Q8NER1	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
SCHEMBL30410047	0.96	CYP1A2 (0.33)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29710196	0.94	TRPV1 (0.30)	TRPV1
SCHEMBL31121891	0.82	CYP1A2 (0.36)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30693730	0.82	CYP1A2 (0.35)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL27947568	0.82	CYP1A2 (0.35)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29405018	0.79	ALDH1A1 (0.35)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29600963	0.79	ALDH1A1 (0.35)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL10715127	0.79	TRPV1 (0.31)	CYP2C19TRPV1
SCHEMBL22720554	0.77	CYP1A2 (0.37)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1099783	0.76	CYP1A2 (0.36)	CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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
CN-115627057-B	Straw and preparation method thereof	北京微构工场生物技术有限公司	2023-10-20	—	—	CN	disclosed
WO-2022145730-A1	LIGHT-EMITTING DIODE REFLECTOR	롯데케미칼 주식회사	2022-07-07	—	—	WO	disclosed