SCHEMBL873571

SCHEMBL873571

CCC1OC1(C(=O)OC)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL28994067 0.86 OPRM1 (0.47)
SCHEMBL873001 0.86 CYP3A4 (0.36) CYP3A4ALOX15MAPT
SCHEMBL4889516 0.83 HCAR3 (0.36) HTT
SCHEMBL977954 0.83 HCAR3 (0.36) HTT
SCHEMBL9616758 0.79 HTT (0.43) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL7145021 0.78 HTT (0.47) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL14968177 0.76 CYP3A4 (0.51) HTTCYP3A4ALOX15MEN1KMT2A
SCHEMBL28177965 0.75 OPRM1 (0.45)
SCHEMBL57715 0.73 OPRM1 (0.49) MEN1KMT2A
SCHEMBL16110034 0.72 CYP3A4 (0.44) HTTCYP3A4ALOX15MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10072234-B2 Fragrance compositions GIVAUDAN S.A. (CH) 2018-09-11 US claimed
EP-2084254-B2 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2018-08-08 EP claimed
EP-2084254-B1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2015-02-25 EP claimed
US-20140194338-A1 Fragrance Compositions GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2014-07-10 US claimed
EP-2084255-B1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2014-01-22 EP claimed
US-20110130323-A1 Fragrance Compositions GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2011-06-02 US claimed
EP-2084254-A1 FRAGRANCE COMPOSITIONS Givaudan Nederland Services B.V. (NL) 2009-08-05 EP claimed
EP-2084255-A1 FRAGRANCE COMPOSITIONS Givaudan Nederland Services B.V. (NL) 2009-08-05 EP claimed
WO-2008050086-A1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-02 WO claimed
WO-2008050084-A1 FRAGRANCE COMPOSITIONS GIVAUDAN NEDERLAND SERVICES B.V. (NL) 2008-05-02 WO claimed
US-20080096791-A1 a mixture of perfumes selected form esters, aldehydes, alcohols, ketones or plant oils, used for promoting activated, pleasant moods through the inhalation QUEST INTERNATIONAL SERVICES B.V. 2008-04-24 US claimed
US-20080096790-A1 a mixture of perfumes selected form esters, aldehydes, alcohols, ketones or plant oils, used for promoting activated, pleasant moods through the inhalation QUEST INTERNATIONAL SERVICES B.V. 2008-04-24 US claimed
CN-111315352-B Oral composition 狮王株式会社 2023-12-26 CN disclosed
WO-2023100804-A1 LIQUID COMPOSITION FOR ORAL USE ライオン株式会社 2023-06-08 WO disclosed
WO-2023063268-A1 NON-AQUEOUS COMPOSITION FOR ORAL CAVITY ライオン株式会社 2023-04-20 WO disclosed
EP-3597170-B1 COMPOSITION FOR TOOTH BLEACHING G C DENTAL IND CORP (JP) 2023-04-05 EP disclosed
US-4725657-A PERFUMES, INSERTICIDES, CORROSION RESISTORS FUNGICIDES OR PESTICIDES JAPAN LIQUID CRYSTAL CO., LTD. (JP) 1988-02-16 US disclosed
US-4722815-A MIXED WITH SYNTHETIC RESINS FOR SUSTAINED RELEASE MOLDED PRODUCTS JAPAN LIQUID CRYSTAL CO., LTD. (JP) 1988-02-02 US disclosed
EP-0251132-A1 A method for producing paper SHIBANAI, Hiroko (JP) 1988-01-07 EP disclosed
EP-0186146-A2 Synthetic resin product containing compound included in cyclodextrin and process for the production of the same Japan Liquid Crystal Co., Ltd. (JP) 1986-07-02 EP disclosed