SCHEMBL16289348

COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@H]2C(c2cc[c]c(Cl)c2)[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)Oc2ccccc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1

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
SCHEMBL16288541	0.96	—	—
SCHEMBL27222209	0.96	—	—
SCHEMBL16568494	0.95	—	—
SCHEMBL29539972	0.92	TERT (0.32)	—
SCHEMBL31684000	0.91	TERT (0.30)	—
SCHEMBL17964374	0.91	TERT (0.30)	—
SCHEMBL17964381	0.91	TERT (0.30)	—
SCHEMBL16568195	0.90	KDM4E (0.33)	—
SCHEMBL16568184	0.90	KDM4E (0.33)	—
SCHEMBL16289630	0.89	KDM4E (0.34)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-11891457-B2	Peptide-compound cyclization method	CHUGAI SEIYAKU KABUSHIKI KAISHA (JP)	2024-02-06	—	—	US	disclosed
US-20210061860-A1	PEPTIDE-COMPOUND CYCLIZATION METHOD	CHUGAI SEIYAKU KABUSHIKI KAISHA (JP)	2021-03-04	—	—	US	disclosed
US-20160311858-A1	PEPTIDE-COMPOUND CYCLIZATION METHOD	CHUGAI SEIYAKU KABUSHIKI KAISHA (JP)	2016-10-27	—	—	US	disclosed
US-20150080549-A1	PEPTIDE-COMPOUND CYCLIZATION METHOD	CHUGAI SEIYAKU KABUSHIKI KAISHA (JP)	2015-03-19	—	—	US	disclosed
EP-2813512-A1	PEPTIDE-COMPOUND CYCLIZATION METHOD	Chugai Seiyaku Kabushiki Kaisha (JP)	2014-12-17	—	—	EP	disclosed