SCHEMBL3632219

SCHEMBL3632219

C=CCCCCCCCCC(=O)C(=O)CCCCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 5/20 0.67
▸ CES1 P23141 5/20 0.67
▸ TSHR P16473 2/20 0.67
▸ ABCC4 O15439 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ FAAH O00519 2/20 0.56
▸ FABP3 P05413 5/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ LMNA P02545 1/20 0.55

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
SCHEMBL11114323 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL9294949 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL6130462 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL24090416 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL9513739 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL25340115 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL14391420 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL25340388 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL21983976 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1
SCHEMBL9015415 0.88 TSHR (0.67) TSHRABCC4MAPTFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 — — EP claimed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 — — WO claimed
EP-2144987-B1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO KGAA (DE) 2014-06-04 — — EP claimed
EP-1976855-B1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2012-08-15 — — EP claimed
EP-4108755-A1 BLOOMING EFFECT THROUGH THE USE OF SOLUBLE WASH CLOTHS Henkel AG & Co. KGaA (DE) 2022-12-28 — — EP disclosed
EP-3350295-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 — — EP disclosed
EP-2809756-B1 COMBINATION OF AN AMINO ALCOHOL, A FRAGRANCE AND A SILICIC ACID ESTER, AND THE USE OF SAME AS A PRO-FRAGRANCE HENKEL AG & CO KGAA (DE) 2017-04-05 — — EP disclosed
WO-2017046051-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 — — WO disclosed
EP-2809761-B1 COMBINATION OF 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND SILICIC ACID ESTER AND USE AS FRAGRANCE PRECURSOR HENKEL AG & CO KGAA (DE) 2017-02-08 — — EP disclosed
EP-2809756-A1 COMBINATION OF AN AMINO ALCOHOL, A FRAGRANCE AND A SILICIC ACID ESTER, AND THE USE OF SAME AS A PRO-FRAGRANCE Henkel AG&Co. KGAA (DE) 2014-12-10 — — EP disclosed
WO-2013113533-A1 COMBINATION OF AN AMINO ALCOHOL, A FRAGRANCE AND A SILICIC ACID ESTER, AND THE USE OF SAME AS A PRO-FRAGRANCE HENKEL AG & CO. KGAA (DE) 2013-08-08 — — WO disclosed
EP-2144917-B1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND MONOCYCLIC OXAZOLIDINES FROM PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2012-09-05 — — EP disclosed
EP-1976855-B1 1-AZA-3,7-DIOXABICYCLO[3.3.0]OCTANE COMPOUNDS AND THEIR USE AS PRO-FRAGRANCES HENKEL AG & CO KGAA (DE) 2012-08-15 — — EP disclosed
EP-2144987-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS Henkel AG & Co. KGaA (DE) 2010-01-20 — — EP disclosed
EP-2046927-A1 ESTERQUATS CONTAINING OH GROUPS FOR IMPROVED FRAGRANCE EFFECT Henkel AG & Co. KGaA (DE) 2009-04-15 — — EP disclosed
WO-2008145470-A1 INHIBITION OF DISCOLORATION BY WASHING AND CLEANING AGENTS AND/OR COSMETIC AGENTS HENKEL AG & CO. KGAA (DE) 2008-12-04 — — WO disclosed
WO-2008012129-A1 ESTERQUATS CONTAINING OH GROUPS FOR IMPROVED FRAGRANCE EFFECT HENKEL AG & CO. KGAA (DE) 2008-01-31 — — WO disclosed
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