SCHEMBL10002188

CC(C)(C)B1Oc2cc3c4cc5c6cc4c4cc7c(cc4c3cc2O1)OB(O7)c1ccc(cc1N)B1Oc2cc3c(cc2O1)c1cc2c(cc1c1cc4c(cc31)OB(O4)c1ccc(cc1N)B1Oc3cc4c(cc3O1)c1cc3c(cc1c1cc7c(cc41)OB(O7)c1ccc(cc1N)B1Oc4cc7c(cc4O1)c1cc4c(cc1c1cc8c(cc71)OB(O8)c1ccc(cc1N)B1Oc7cc8c(cc7O1)c1cc7c(cc1c1cc9c(cc81)OB(O9)c1ccc(cc1N)B1Oc8cc9c(cc8O1)c1cc8c(cc1c1cc%10c(cc91)OB(O%10)c1ccc(cc1N)B(O6)O5)OB(C(C)(C)C)O8)OB(C(C)(C)C)O7)OB(C(C)(C)C)O4)OB(C(C)(C)C)O3)OB(C(C)(C)C)O2

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
SCHEMBL12267662	0.83	—	—
SCHEMBL10002179	0.76	—	—
SCHEMBL16298547	0.76	—	—
SCHEMBL10002186	0.70	—	—
SCHEMBL12267675	0.66	TSHR (0.37)	—
SCHEMBL10002180	0.64	—	—
SCHEMBL16298546	0.61	TDP1 (0.41)	—
SCHEMBL2746875	0.60	CYP2A6 (0.34)	—
SCHEMBL11408529	0.57	ALDH1A1 (0.38)	—
SCHEMBL3180807	0.54	CYP3A4 (0.39)	—

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-20120016146-A1	POROUS CRYSTAL COMPRISING AMMONIA BORANE AND A PRODUCTION METHOD THEREFOR	INSILICOTECH CO., LTD (KR)	2012-01-19	—	—	US	disclosed