SCHEMBL458094

COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(=O)(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL458095	0.89	ALDH1A1 (0.36)	—
SCHEMBL29536225	0.86	CA1 (0.38)	—
SCHEMBL457822	0.86	CA1 (0.38)	—
SCHEMBL459816	0.83	ALDH1A1 (0.31)	—
SCHEMBL459659	0.77	CA1 (0.34)	—
SCHEMBL458326	0.72	CYP1A2 (0.39)	—
SCHEMBL460486	0.71	CA1 (0.43)	—
SCHEMBL470720	0.70	TNFRSF1A (0.33)	—
SCHEMBL29536408	0.69	CYP1A2 (0.38)	—
SCHEMBL458557	0.69	ALDH1A1 (0.41)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9062085-B2	Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis	KANATA CHEMICAL TECHNOLOGIES INC. (CA)	2015-06-23	—	—	US	disclosed
US-20130184479-A1	BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS	KANATA CHEMICAL TECHNOLOGIES INC. (CA)	2013-07-18	—	—	US	disclosed
EP-2614069-A1	BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS	Kanata Chemical Technologies Inc. (CA)	2013-07-17	—	—	EP	disclosed
WO-2012031358-A1	BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS	KANATA CHEMICAL TECHNOLOGIES INC. (CA)	2012-03-15	—	—	WO	disclosed