SCHEMBL27616614

SCHEMBL27616614

C/C=C(\C)C(=O)O.C=CC(=O)OCCC(C)CCC=C(C)C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.58
TSHR P16473 6/20 0.41
ALDH1A1 P00352 5/20 0.41
EPHX2 P34913 1/20 0.37
NFE2L2 Q16236 1/20 0.37
HPGD P15428 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 2/20 0.32

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
Acetic Acid SCHEMBL27858131 0.90 ALOX15 (0.67) ALOX15TSHRALDH1A1EPHX2NFE2L2
Bicarbonate SCHEMBL27672407 0.90 ALOX15 (0.67) ALOX15TSHRALDH1A1EPHX2NFE2L2
SCHEMBL30667366 0.90 ALOX15 (0.71) ALOX15TSHRALDH1A1EPHX2NFE2L2
SCHEMBL27494 0.90 ALOX15 (0.71) ALOX15TSHRALDH1A1EPHX2NFE2L2
Methacrylic Acid SCHEMBL27563787 0.89 ALOX15 (0.61) ALOX15TSHRALDH1A1EPHX2NFE2L2
SCHEMBL28191073 0.88 ALOX15 (0.63) ALOX15TSHRALDH1A1EPHX2NFE2L2
Succinic Acid SCHEMBL28258109 0.86 ALOX15 (0.61) ALOX15TSHRALDH1A1EPHX2NFE2L2
Formic Acid SCHEMBL28090579 0.86 ALOX15 (0.69) ALOX15TSHRALDH1A1EPHX2NFE2L2
SCHEMBL28009114 0.86 ALOX15 (0.65) ALOX15TSHRALDH1A1EPHX2NFE2L2
Crotonic Acid SCHEMBL28035376 0.86 ALOX15 (0.57) ALOX15TSHRALDH1A1EPHX2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109642184-A Product including plastic containers and composition of matter 西姆莱斯有限公司 2019-04-16 CN claimed
CN-109642184-A Product including plastic containers and composition of matter 西姆莱斯有限公司 2019-04-16 CN disclosed
CN-104937149-A Polyurethane fiber TORAY OPELONTEX CO LTD 2015-09-23 CN disclosed
CN-103189076-A Deodorant composition for sulfides TAKASAGO PERFUMERY CO LTD 2013-07-03 CN disclosed
CN-102171321-A Aromatic composition KOBAYASHI PHARMA 2011-08-31 CN disclosed
CN-101341241-B Liquid detergent KAO CORP 2011-06-29 CN disclosed
CN-100587050-C Allergen remover KAO CORP 2010-02-03 CN disclosed
CN-100528125-C Stabilization with substituted ureas against color degradation of personal care products UNILEVER NV (NL) 2009-08-19 CN disclosed
CN-101443406-A Polymer article modified with a metal cation containing compound CIBA HOLDING INC (CH) 2009-05-27 CN disclosed
CN-101443407-A Polymer article modified with a metal cation containing compound CIBA HOLDING INC (CH) 2009-05-27 CN disclosed
CN-101341241-A Liquid detergent KAO CORP (JP) 2009-01-07 CN disclosed
CN-101151315-A Additive mixtures for agricultural articles CIBA SPECIALITY CHEMICALS S P (CH) 2008-03-26 CN disclosed
CN-1925831-A Stabilization with substituted ureas against color degradation of personal care products UNILEVER NV (NL) 2007-03-07 CN disclosed
CN-1744875-A Skin-beauty derivative of dithiane-resorcin, compositon and method thereof UNILEVER PLC (NL) 2006-03-08 CN disclosed
CN-1703193-A Fragrance composition including an ionic liquid, its preparation and use DEGUSSA (DE) 2005-11-30 CN disclosed
CN-1628516-A Allergen remover KAO CORP (JP) 2005-06-22 CN disclosed