SCHEMBL2123571

SCHEMBL2123571

CC(C)C(=O)C#N

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL29204873 0.97
SCHEMBL13799019 0.78
SCHEMBL30759501 0.75
SCHEMBL2121756 0.72 TP53 (0.33)
SCHEMBL11004435 0.72
SCHEMBL19488165 0.71
SCHEMBL11518869 0.71
SCHEMBL11123194 0.71
SCHEMBL7830347 0.69
SCHEMBL31248142 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111040060-B Method for polymerizing 'active' free radical of vinyl monomer under near-infrared photo-thermal conversion 苏州大学 2020-12-29 CN claimed
CN-111040060-A Method for polymerizing 'active' free radical of vinyl monomer under near-infrared photo-thermal conversion 苏州大学 2020-04-21 CN claimed
CN-110128578-B Light-controlled aqueous solution reversible complexing polymerization and preparation of polymer nanoparticles 苏州大学 2021-03-30 CN disclosed
CN-111040060-B Method for polymerizing 'active' free radical of vinyl monomer under near-infrared photo-thermal conversion 苏州大学 2020-12-29 CN disclosed
CN-111040060-A Method for polymerizing 'active' free radical of vinyl monomer under near-infrared photo-thermal conversion 苏州大学 2020-04-21 CN disclosed
WO-2020021735-A1 RESIN-COATED METALLIC PIGMENT DIC株式会社 2020-01-30 WO disclosed
US-9814709-B2 Bruton's tyrosine kinase inhibitor HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2017-11-14 US disclosed
US-20170128439-A1 NEW BRUTON'S TYROSINE KINASE INHIBITOR ANHUI NEW STAR PHARMACEUTICAL DEVELOPMENT CO., LTD. (CN) 2017-05-11 US disclosed
US-8865863-B2 MCR dendrimers Leibniz-Institut fur Pflandzenbiochemie (DE) 2014-10-21 US disclosed
US-20130203960-A1 MCR DENDRIMERS Leibniz-Institut fur Pflanzenbiochemie (DE) 2013-08-08 US disclosed
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 EP disclosed
CN-1289486-C Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-1) ASTRAZENECA AB (SE) 2006-12-13 CN disclosed
CN-1617858-A Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-1) ASTRAZENECA AB (SE) 2005-05-18 CN disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 US disclosed
US-4339591-A Process for the production of caboxylic acid cyanides DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-07-13 US disclosed
US-4161491-A Process for the production of alpha-ketocarboxylic acid amides and cycloaliphatic products DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1979-07-17 US disclosed