Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL872936

CC(O)CC(C)(C)O.CCOC(C)OCC.O=CCc1ccccc1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.37
METAP2 P50579 1/20 0.34
TSHR P16473 3/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CTSK P43235 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
POLB P06746 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
Phenylacetaldehyde SCHEMBL17267409 0.85 TSHR (0.38) TRPA1METAP2TSHRHTTSMN1; SMN2
Phenylacetaldehyde SCHEMBL452558 0.84 LMNA (0.44) TSHRHTTSMN1; SMN2LMNAMEN1
Phenylacetaldehyde SCHEMBL10892064 0.82 LMNA (0.39) TRPA1TSHRHTTSMN1; SMN2LMNA
Phenylacetaldehyde SCHEMBL1412189 0.81 LMNA (0.41) TSHRHTTSMN1; SMN2LMNAMEN1
Cinnamic Aldehyde SCHEMBL11702441 0.81 ALDH1A1 (0.44) TRPA1SMN1; SMN2LMNAHPGDL3MBTL1
Phenylacetaldehyde SCHEMBL112416 0.81 TSHR (0.40) TRPA1METAP2TSHRHTTSMN1; SMN2
Acetaldehyde SCHEMBL2005537 0.78 KMT2A (0.36) TRPA1LMNAKMT2AL3MBTL1POLB
SCHEMBL14360170 0.76 LMNA (0.39) TRPA1LMNAKMT2APOLBCYP2D6
Phenylacetaldehyde SCHEMBL20446687 0.71 TRPA1 (0.47) TRPA1TSHRLMNAMEN1KMT2A
Dihydrocinnamaldehyde SCHEMBL598211 0.71 SMN1; SMN2 (0.41) TSHRHTTSMN1; SMN2LMNAHPGD

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-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
US-6780835-B2 DEODORANT FOR TREATING TEXTILES INCORPORATING SPANDEX QUEST INTERNATIONAL B.V. (NL) 2004-08-24 US claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
EP-2160445-B1 Method for preparing non-textile polymer article INVISTA TECHNOLOGIES SARL (CH) 2017-03-22 EP disclosed
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
US-9328190-B2 Non-textile polymer compositions and methods INVISTA NORTH AMERICA S.A.R.L. (US) 2016-05-03 US disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140357730-A1 NON-TEXTILE POLYMER COMPOSITIONS AND METHODS INVISTA North America S.à r.l. (US) 2014-12-04 US disclosed
EP-2799863-A1 Method to evaluate fragrance compositions The Procter and Gamble Company (US) 2014-11-05 EP disclosed
EP-2799864-A1 Method to evaluate fragrance compositions The Procter and Gamble Company (US) 2014-11-05 EP disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-6713410-B1 DEPOSITING A PERFUME MIXTURE WHICH PREFERENTIALLY DEPOSIT ON SPANDEX FIBERS AND IS RETAINED BETTER THAN ON OTHER TEXTILE FIBERS; WASHING; DEODORANT E.I. DU PONT DE NEMOURS AND CO. 2004-03-30 US disclosed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP disclosed
US-6465420-B1 YARN OR FABRIC COMPRISING COTTON AND SPANDEX FIBRES, HAVING A PERFUME COMPOSITION DEPOSITED ON THE SAID YARN OR FABRIC QUEST INTERNATIONAL B.V. (NL) 2002-10-15 US disclosed
EP-1029032-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2000-08-23 EP disclosed
EP-1023480-A1 METHOD FOR TEXTILE TREATMENT FOR SPANDEX CONTAINING FABRICS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2000-08-02 EP disclosed
EP-1021160-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL NEDERLAND BV (NL) 2000-07-26 EP disclosed
WO-1999019452-A1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX® CONTAINING FABRICS UNILEVER PLC (GB) 1999-04-22 WO disclosed
WO-1999019553-A1 METHOD FOR TEXTILE TREATMENT FOR SPANDEX CONTAINING FABRICS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-04-22 WO disclosed
WO-1999018926-A1 PERFUME COMPOSITIONS QUEST INTERNATIONAL B.V. (NL) 1999-04-22 WO disclosed