SCHEMBL8973506

SCHEMBL8973506

CC(=O)C1CC/C(C)=C\C/C=C(/C)CC/C=C\1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TERT O14746 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
MET P08581 1/20 0.31
CNR2 P34972 1/20 0.30
PPARA Q07869 1/20 0.30
PTPN1 P18031 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL585278 0.95 TAS2R46 (0.38) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL585277 0.95 TAS2R46 (0.38) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL1153227 0.95 TAS2R46 (0.38) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL17627758 0.95 TAS2R46 (0.38) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL3504653 0.95 TAS2R46 (0.38) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL21004881 0.84 TAS2R46 (0.32) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL21004882 0.84 TAS2R46 (0.32) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL2575638 0.80 LMNA (0.35) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL2575636 0.80 LMNA (0.35) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL16236106 0.78 TAS2R46 (0.35) TAS2R46MEN1KMT2ARECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440362-B1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INT FLAVORS & FRAGRANCES INC (US) 1996-04-03 EP disclosed
EP-0531636-B1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INT FLAVORS & FRAGRANCES INC (US) 1995-10-18 EP disclosed
EP-0347596-B1 Bleaching composition INT FLAVORS & FRAGRANCES INC (US) 1995-07-12 EP disclosed
EP-0383446-B1 2,4,4-Trisubstituted tetrahydropyranyl esters and organoleptic uses thereof INT FLAVORS & FRAGRANCES INC (US) 1995-05-03 EP disclosed
US-5236897-A Reacting isobutyronitrile with 2- or 4-vinyl pyridine; augments and enhances aromas INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-08-17 US disclosed
EP-0531636-A1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-03-17 EP disclosed
US-5179222-A Reaction of isobutyronitrile with styrene derivatives in the presence of sodium hydride and lithium diisopropylamide INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-01-12 US disclosed
US-5143899-A Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1992-09-01 US disclosed
EP-0440362-A1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-08-07 EP disclosed
US-4990494-A 1,1-dimethyl-1-nitrilo or hydroxylamino-3-(alkyl phenyl)-substituted propanes, organoleptic uses thereof and processes for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1991-02-05 US disclosed
EP-0383446-A2 2,4,4-Trisubstituted tetrahydropyranyl esters and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-08-22 EP disclosed
EP-0347596-A2 Bleaching composition INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1989-12-27 EP disclosed
US-4863631-A Dimethyl substituted alkyl nitriles, perfume and bleach compositions containing same organoleptic uses thereof and process intermediates for producing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1989-09-05 US disclosed
US-4822515-A Ethyl norbornyl alkyl ethers, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1989-04-18 US disclosed
US-4772411-A ETHYL TRICYCLOHEPTYL ALKYL ETHERS, BLEACHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-09-20 US disclosed
EP-0042734-B1 OLEFIN DIMERS, DERIVATIVES THEREOF AND ORGANOLEPTIC USES THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-03-20 EP disclosed
US-4390448-A Perfumed stable aqueous hypochlorite bleach compositions containing 2-methyl-2-octanol and thickened variation thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-06-28 US disclosed
US-4342663-A Use of mixture of aliphatic C10 branched olefins in augmenting or enhancing the aroma of articles subjected to action of aqueous hypochlorites INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1982-08-03 US disclosed
US-4330425-A Use of mixture of aliphatic C10 branched olefin epoxides in augmenting or enhancing the aroma of articles subjected to action of aqueous hypochlorites INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-18 US disclosed
EP-0042734-A2 Olefin dimers, derivatives thereof and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-30 EP disclosed