SCHEMBL3506522

SCHEMBL3506522

C1CCCCCC2COCC2CCCC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD11B1 P28845 1/20 0.33
TSHR P16473 1/20 0.33
SLC18A3 Q16572 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL16877510 1.00 ALDH1A1 (0.47) ALDH1A1CES2CES1HSD11B1TSHR
SCHEMBL20748211 0.96
SCHEMBL9978251 0.96
SCHEMBL215593 0.96
SCHEMBL10420510 0.90 ALDH1A1 (0.53) ALDH1A1CES2CES1HSD11B1TSHR
SCHEMBL25397446 0.89
SCHEMBL1867275 0.89
SCHEMBL16505859 0.86 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11106863 0.82 ALDH1A1 (0.44) ALDH1A1SLC18A3
SCHEMBL21841419 0.82 ALDH1A1 (0.44) ALDH1A1HSD11B1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
CN-114007734-A Method for preparing capsules 宝洁公司 2022-02-01 CN disclosed
CN-113660926-A Capsule 宝洁公司 2021-11-16 CN disclosed
CN-113631695-A Capsule 宝洁公司 2021-11-09 CN disclosed
CN-106999972-A System and method for discharging fragrance 阿甘芳香和精细化工有限公司 2017-08-01 CN disclosed
US-8889614-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2014-11-18 US disclosed
US-20120152268-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2012-06-21 US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed