Citronellol

Citronellol

SCHEMBL8024693

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

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.65
ALDH1A1 P00352 2/20 0.62
EPHX2 P34913 1/20 0.44
USP2 O75604 1/20 0.42
NFE2L2 Q16236 1/20 0.40
TSHR P16473 1/20 0.35
NAAA Q02083 1/20 0.34
GGPS1 O95749 2/20 0.33
FDPS P14324 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL30754356 0.94 ALOX15 (0.73) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL1865826 0.94 ALOX15 (0.73) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL396918 0.94 ALOX15 (0.73) ALOX15ALDH1A1EPHX2USP2NFE2L2
Propionic Acid SCHEMBL17748819 0.90 ALOX15 (0.67) ALOX15ALDH1A1EPHX2USP2NFE2L2
Citronellyl Acetate SCHEMBL4623480 0.86 ALOX15 (0.87) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL29382137 0.86 ALOX15 (0.61) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL7698537 0.83 ALOX15 (0.75) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL22832776 0.83 ALOX15 (0.75) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL310496 0.82 ALOX15 (0.69) ALOX15ALDH1A1EPHX2USP2NFE2L2
SCHEMBL13176163 0.81 ALOX15 (0.73) ALOX15ALDH1A1EPHX2USP2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977549-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP disclosed
US-6013618-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS PROCTER & GAMBLE COMPANY (US) 2000-01-11 US disclosed
US-5919752-A ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. PROCTER & GAMBLE (US) 1999-07-06 US disclosed
WO-1998047478-A1 PERFUMES HAVING ODOR LONGEVITY BENEFITS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO disclosed