SCHEMBL4474378

SCHEMBL4474378

CC=CC(=O)C(C)C

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
SCHEMBL9511867 1.00
SCHEMBL410195 1.00
SCHEMBL10308366 0.83 GABRP (0.35)
SCHEMBL10308367 0.83 GABRP (0.35)
SCHEMBL13039622 0.81 GABRP (0.31)
SCHEMBL2622482 0.80 CNR2 (0.40)
SCHEMBL6651426 0.79
SCHEMBL6651428 0.79
SCHEMBL2622488 0.78 CNR2 (0.42)
SCHEMBL9860320 0.75

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000075-A1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20180000085-A1 USE OF PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY CORTEVA AGRISCIENCE LLC 2018-01-04 US disclosed
US-20170334934-A1 Macrocyclic picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2017-11-23 US disclosed
US-7592463-B2 An imidazolidinone compounds is used in reaction as catalyst to lower the energy level of the lowest unoccupied molecular orbital CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-22 US disclosed
EP-1461320-B1 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2008-04-09 EP disclosed
EP-1439001-B1 Process for producing optically active epoxides TOSOH CORP (JP) 2007-07-25 EP disclosed
EP-1127616-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2006-05-31 EP disclosed
EP-1366815-B1 Catalyst for asymmetric epoxidations of enones and process for producing optically active epoxide employing it TOSOH CORP (JP) 2005-12-28 EP disclosed
US-6878835-B2 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2005-04-12 US disclosed
EP-1461320-A4 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-12-08 EP disclosed
US-6680275-B2 COMPLEX OF OPTICALLY ACTIVE BINAPHTHOL, LANTHANUM TRIISOPROPOXIDE OXIDE, TRIPHENYLPHOSPHINE OXIDE AND CUMENE OR TERT-BUTYL HYDROPEROXIDE; OPTICAL PURITY; REACTIVITY; STABILITY TOSOH CORPORATION (JP) 2004-01-20 US disclosed
EP-1366815-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2003-12-03 EP disclosed
US-20030220507-A1 Enantioselective transformation of alpha,beta-unsaturated ketones using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-11-27 US disclosed
WO-2003047740-A2 ENANTIOSELECTIVE TRANSFORMATION OF α,β-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2003-06-12 WO disclosed
EP-0837919-B1 HEAT AND MASS TRANSFER ADDITIVES FOR IMPROVED AQUEOUS ABSORPTION FLUIDS ROCKY RESEARCH (US) 2002-10-16 EP disclosed
US-20010051737-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it TOSOH CORPORATION (JP) 2001-12-13 US disclosed
EP-1127616-A1 Catalyst for asymmetric epoxidation of enones and process for producing optically active epoxide employing it Tosoh Corporation (JP) 2001-08-29 EP disclosed
US-6201123-B1 FOR ASYMMETRIC EPOXIDATION OF ENONES; GIVES EPOXIDES HAVING AN ENHANCED OPTICAL PURITY TECHNO POLYMER CO., LTD. (JP) 2001-03-13 US disclosed
EP-0348793-B1 PROCESS FOR THE PREPARATION OF KETONES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
EP-0348793-A2 Process for the preparation of ketones BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed