SCHEMBL12803530

COc1ccc(C(OC[C@H]2OC[C@H](Oc3ccc4ccccc4c3)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(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
SCHEMBL31328318	0.90	SLC6A1 (0.31)	—
SCHEMBL22073368	0.88	TYMP (0.31)	—
SCHEMBL12515639	0.87	KCNA5 (0.30)	—
SCHEMBL12803101	0.87	TACR1 (0.31)	—
SCHEMBL2267242	0.87	KCNA5 (0.30)	—
SCHEMBL12516040	0.87	KCNA5 (0.30)	—
SCHEMBL12803417	0.87	TACR1 (0.32)	—
SCHEMBL22509393	0.86	TYMP (0.33)	—
SCHEMBL6849475	0.86	SLC6A1 (0.31)	—
SCHEMBL12803419	0.86	—	—

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-9512426-B2	Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications	SIRNA THERAPEUTICS, INC. (US)	2016-12-06	—	—	US	disclosed
US-20150132761-A1	METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS	BANK OF AMERICA, N.A.	2015-05-14	—	—	US	disclosed
US-8877439-B2	Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications	SIRNA THERAPEUTICS, INC. (US)	2014-11-04	—	—	US	disclosed
US-20120252027-A1	Method For Rapidly Evaluating Performance Of Short Interfering RNA With Novel Chemical Modifications	BANK OF AMERICA, N.A.	2012-10-04	—	—	US	disclosed