SCHEMBL112302

SCHEMBL112302

CC(CC#N)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
MAOB P27338 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
CTSC P53634 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL4867233 0.83 POLB (0.44) POLBMAOBTSHRALDH1A1CYP1A2
SCHEMBL11435849 0.83 CYP2A6 (0.44) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL11442131 0.83 LPL (0.37) TSHRALDH1A1MEN1KMT2AHPGD
SCHEMBL11437711 0.83 CYP2A6 (0.41) POLBALDH1A1CYP1A2
SCHEMBL11451037 0.81 IDO1 (0.39) MAOBALDH1A1MEN1KMT2A
SCHEMBL4785593 0.81 TSHR (0.52) POLBTSHRALDH1A1CYP1A2CYP2C9
SCHEMBL23567767 0.80 TAAR1 (0.44) TSHRALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13685186 0.80 MAOB (0.53) MAOBTSHRCYP1A2OPRK1
SCHEMBL11443248 0.79 GRIA4 (0.42) TSHR
SCHEMBL7937670 0.78 CTSC (0.43) POLBMAOBTSHRCTSC

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 1213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051483-B Esters and ethers of 2, 4-tetramethyl cyclobutane-1, 3-diol as fragrance chemicals 巴斯夫欧洲公司 2025-01-24 CN claimed
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
EP-4428219-A2 COMPOSITION FOR ODOUR IMPROVEMENT Symrise AG (DE) 2024-09-11 EP claimed
EP-3618798-B1 COMPOSITION FOR ODOUR IMPROVEMENT SYMRISE AG (DE) 2024-08-21 EP claimed
CN-113056547-A Jasmine alcohol 西姆莱斯有限公司 2021-06-29 CN claimed
WO-2020015880-A1 BI-PHASE DEODORIZING COSMETIC COMPOSITION BEIERSDORF AG (DE) 2020-01-23 WO claimed
US-20190155975-A9 Antiperspirant and Deodorant Compositions Comprising Malodor Reduction Compositions THE PROCTER & GAMBLE COMPANY 2019-05-23 US claimed
US-10240108-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2019-03-26 US claimed
EP-3365418-A2 PARTICLES FOR MALODOR REDUCTION The Procter and Gamble Company (US) 2018-08-29 EP claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
WO-2016049398-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090557-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049404-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
US-8852565-B2 Odour-reducing substances SYMRISE AG (DE) 2014-10-07 US claimed
EP-0963194-A1 NITRILE PERFUMERY MATERIAL Bush Boake Allen Inc. (US) 1999-12-15 EP claimed
WO-1999026601-A1 NITRILE PERFUMERY MATERIAL BUSH BOAKE ALLEN INC. (US) 1999-06-03 WO claimed
US-5888962-A CONTAINING 3-METHYL-5-(PHENYL OR CYCLOHEXYL)-PENTANENITRILE BUSH BOAKE ALLEN INC. (US) 1999-03-30 US claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed