SCHEMBL1551783

SCHEMBL1551783

CCCC[CH]CC(C)=O

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
SCHEMBL27831100 0.93 EP300 (0.43)
SCHEMBL17391189 0.91 EP300 (0.47)
SCHEMBL27769956 0.84
SCHEMBL4273477 0.80
SCHEMBL7284959 0.78 F7 (0.52)
SCHEMBL17322184 0.78 F7 (0.52)
SCHEMBL8014808 0.78
SCHEMBL28179083 0.76 F7 (0.50)
SCHEMBL15671437 0.75
SCHEMBL7021101 0.75 TSHR (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002049433-A2 REPELLENT COSMETIC COMPOSITION ACTIVE AGAINST SCHISTOSOME FURCOCERCARIA LABORATOIRES ASEPTA S.A.M. (MC) 2002-06-27 WO claimed
US-9180075-B2 Concentrates for treating substrates COGNIS IP MANAGEMENT GMBH (DE) 2015-11-10 US disclosed
US-8329147-B2 Alkyl benzoate mixtures COGNIS IP MANAGEMENT GMBH (DE) 2012-12-11 US disclosed
US-20120231059-A1 Concentrates For Treating Substrates COGNIS IP MANAGEMENT GMBH (DE) 2012-09-13 US disclosed
EP-2313076-A2 RINSE-OFF PRODUCTS HAVING A BENEFICIAL EFFECT ON THE SKIN Henkel AG & Co. KGaA (DE) 2011-04-27 EP disclosed
US-20100028275-A1 Alkyl Benzoate Mixtures COGNIS IP MANAGEMENT GMBH (DE) 2010-02-04 US disclosed
WO-2010003843-A2 RINSE-OFF PRODUCTS HAVING A BENEFICIAL EFFECT ON THE SKIN HENKEL AG & CO. KGAA (DE) 2010-01-14 WO disclosed
EP-1419137-A2 METHOD FOR PRODUCING ACYL AMINO ACIDS Cognis Deutschland GmbH & Co. KG (DE) 2004-05-19 EP disclosed
EP-1299074-A2 DEODORIZING PREPARATIONS CONTAINING DIALKYL CARBONATES AND PROPELLANTS AND THEIR USE AS AEROSOLS Cognis Deutschland GmbH & Co. KG (DE) 2003-04-09 EP disclosed
WO-2002049433-A3 REPELLENT COSMETIC COMPOSITION ACTIVE AGAINST SCHISTOSOME FURCOCERCARIA ASEPTA S A M LAB (MC) 2003-01-03 WO disclosed
WO-2002057217-A2 METHOD FOR PRODUCING ACYL AMINO ACIDS COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-07-25 WO disclosed
WO-2002049433-A2 REPELLENT COSMETIC COMPOSITION ACTIVE AGAINST SCHISTOSOME FURCOCERCARIA LABORATOIRES ASEPTA S.A.M. (MC) 2002-06-27 WO disclosed
WO-2002049433-A2 REPELLENT COSMETIC COMPOSITION ACTIVE AGAINST SCHISTOSOME FURCOCERCARIA LABORATOIRES ASEPTA S.A.M. (MC) 2002-06-27 WO disclosed
WO-2002003927-A2 DEODORIZING PREPARATIONS CONTAINING DIALKYL CARBONATES AND PROPELLANTS AND THEIR USE AS AEROSOLS COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2002-01-17 WO disclosed
EP-0378657-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS. RAJADHYAKSHA VITHAL J 1990-07-25 EP disclosed
WO-1990000407-A1 OXAZOLIDINONE PENETRATION ENHANCING COMPOUNDS RAJADHYAKSHA VITHAL J (US) 1990-01-25 WO disclosed