Citronellal

Citronellal

SCHEMBL4181091

CC(C)=CCCC(C)CC=O.CC(C)=CCCC(C)CCO

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.75
ALDH1A1 P00352 2/20 0.75
TSHR P16473 1/20 0.44
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
NFE2L2 Q16236 1/20 0.36
GGPS1 O95749 2/20 0.35
FDPS P14324 2/20 0.35
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34

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
(-)-Citronellal SCHEMBL726161 0.91 ALOX15 (0.57) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL1864131 0.91 ALOX15 (0.57) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL457495 0.91 ALOX15 (0.57) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL29275 0.91 ALOX15 (0.57) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellol SCHEMBL27584087 0.89 ALOX15 (0.81) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL28370962 0.89 ALOX15 (0.57) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL25260936 0.89 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL10553397 0.89 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL28427452 0.89 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2TDP1
Citronellal SCHEMBL3310337 0.89 ALOX15 (0.55) ALOX15ALDH1A1TSHRUSP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714401-B2 Particles for malodor reduction THE PROCTER & GAMBLE COMPANY (US) 2017-07-25 US claimed
CN-106668571-A Tumor cell inhibiting composition 树王台湾桧木精油实业坊 2017-05-17 CN claimed
EP-3452488-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2019-03-13 EP disclosed
WO-2017191310-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2017-11-09 WO disclosed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP disclosed
WO-2014167014-A1 METHOD FOR PRODUCING CITRONELLAL BASF SE (DE) 2014-10-16 WO disclosed
US-20090178692-A1 PERSONAL CLEANSING SYSTEM TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-07-16 US disclosed
EP-2070510-A1 Personal cleansing system Takasago International Corporation (JP) 2009-06-17 EP disclosed
EP-1894603-A1 Encapsulation of bulky fragrance molecules Takasago International Corporation (JP) 2008-03-05 EP disclosed
EP-1523464-A1 METHOD FOR CONTINUOUS HYDROGENATION OF CITRONELLAL TO FORM CITRONELLOL BASF AKTIENGESELLSCHAFT (DE) 2005-04-20 EP disclosed
WO-2004007411-A1 METHOD FOR CONTINUOUS HYDROGENATION OF CITRONELLAL TO FORM CITRONELLOL BASF AKTIENGESELLSCHFT (DE) 2004-01-22 WO disclosed
US-5118884-A High conversion to geraniol and nerol INSTITUT FRANCAIS DU PETROLE (FR) 1992-06-02 US disclosed