SCHEMBL1050591

SCHEMBL1050591

CC(OC(=O)/C=C\C(=O)OC(C)C1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
EPHX1 P07099 3/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
MMP2 P08253 2/20 0.38
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
OPRK1 P41145 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 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
SCHEMBL1050594 1.00 HCAR2 (0.47) HCAR2EPHX1CA12CA1CA2
SCHEMBL6023045 0.93 HCAR2 (0.60) HCAR2EPHX1CA12CA1CA2
SCHEMBL21061211 0.90 HCAR2 (0.38) HCAR2EPHX1CA12CA1CA2
SCHEMBL271978 0.90 HCAR2 (0.38) HCAR2EPHX1CA12CA1CA2
SCHEMBL271977 0.90 HCAR2 (0.38) HCAR2EPHX1CA12CA1CA2
SCHEMBL23495570 0.90 HCAR2 (0.38) HCAR2EPHX1CA12CA1CA2
SCHEMBL16505569 0.88 HCAR2 (0.39) HCAR2EPHX1CA12CA1CA2
SCHEMBL16505570 0.88 HCAR2 (0.39) HCAR2EPHX1CA12CA1CA2
SCHEMBL8893827 0.86 EPHX1 (0.38) HCAR2EPHX1CA12CA1CA2
SCHEMBL1774088 0.84 TSHR (0.38) HCAR2EPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876467-B1 PERFUMES FOR LAUNDRY COMPOSITIONS PROCTER & GAMBLE (US) 2002-09-18 EP claimed
EP-1019479-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 2000-07-19 EP claimed
EP-0843717-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2000-03-22 EP claimed
EP-0876467-A1 PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP claimed
EP-0843717-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1998-05-27 EP claimed
EP-0843718-A1 BIODEGRADABLE FABRIC SOFTENER COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1998-05-27 EP claimed
WO-1997016522-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-05-09 WO claimed
WO-1997016523-A1 PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-05-09 WO claimed
WO-1997003174-A1 BIODEGRADABLE FABRIC SOFTENER COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
WO-1997003173-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO claimed
US-5559088-A DIESTERS OF NON-ALLYLIC ALCOHOLS SLOWLY HYDROLYZE TO RELEASE PERFUME GRADUALLY THE PROCTOR & GAMBLE COMPANY (US) 1996-09-24 US claimed
US-5531910-A DIESTERS WITH NON-ALLYLIC ALCOHOL PERFUMES, CATIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1996-07-02 US claimed
US-20170218310-A1 Laundry Scent Booster COLGATE-PALMOLIVE COMPANY (US) 2017-08-03 US disclosed
EP-3174966-A1 LAUNDRY SCENT BOOSTER Colgate-Palmolive Company (US) 2017-06-07 EP disclosed
WO-2016018271-A1 LAUNDRY SCENT BOOSTER COLGATE-PALMOLIVE COMPANY (US) 2016-02-04 WO disclosed
US-8871697-B2 Fragrance delivery GIVAUDAN SA (CH) 2014-10-28 US disclosed
WO-1997016523-A1 PERFUMES FOR LAUNDRY AND CLEANING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-05-09 WO disclosed
WO-1997003174-A1 BIODEGRADABLE FABRIC SOFTENER COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
WO-1997003173-A1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed
US-5531910-A DIESTERS WITH NON-ALLYLIC ALCOHOL PERFUMES, CATIONIC SURFACTANT THE PROCTER & GAMBLE COMPANY (US) 1996-07-02 US disclosed