SCHEMBL4480014

SCHEMBL4480014

C/C=C/C(=O)CC(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
SCHEMBL4480017 1.00
SCHEMBL18161623 1.00
SCHEMBL9571020 0.79
SCHEMBL28051019 0.79 SLC22A6 (0.39)
SCHEMBL17799152 0.78
SCHEMBL17799151 0.78
SCHEMBL3086103 0.78
SCHEMBL3419635 0.77 ALDH1A1 (0.48)
SCHEMBL6847493 0.77 TSHR (0.45)
SCHEMBL3419638 0.77 ALDH1A1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013003946-A1 COMPOSITIONS AND METHODS FOR ATTRACTING AND STIMULATING FEEDING BY MICE AND RATS CONTECH ENTERPRISES INC. (CA) 2013-01-10 WO claimed
US-12029791-B2 Therapeutic conjugates TOTUS MEDICINES INC. (US) 2024-07-09 US disclosed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
EP-2999344-B1 METHODS FOR ATTRACTING AND STIMULATING FEEDING BY MICE AND RATS SCOTTS CANADA LTD (CA) 2024-04-17 EP disclosed
US-RE49687-E1 Thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-10-10 US disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
US-11673898-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2023-06-13 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
US-20130071383-A1 SELECTIVE MODIFICATION OF PROTEINS NOVO NORDISK A/S (DK) 2013-03-21 US disclosed
WO-2013003946-A1 COMPOSITIONS AND METHODS FOR ATTRACTING AND STIMULATING FEEDING BY MICE AND RATS CONTECH ENTERPRISES INC. (CA) 2013-01-10 WO disclosed
WO-2013003946-A1 COMPOSITIONS AND METHODS FOR ATTRACTING AND STIMULATING FEEDING BY MICE AND RATS CONTECH ENTERPRISES INC. (CA) 2013-01-10 WO 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-1461320-A4 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INST OF TECHN (US) 2004-12-08 EP disclosed
EP-1461320-A2 ENANTIOSELECTIVE TRANSFORMATION OF ALFA,BETA-UNSATURATED KETONES USING CHIRAL ORGANIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2004-09-29 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-0447758-B1 Process for the preparation of unsaturated and saturated carbonyl compounds BASF AG (DE) 1994-08-03 EP disclosed