SCHEMBL5489739

SCHEMBL5489739

C=CCC(CCCCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 1/20 0.36
TSHR P16473 2/20 0.33
FAAH O00519 1/20 0.33
CES2 O00748 5/20 0.32
CES1 P23141 4/20 0.31
FABP3 P05413 3/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31

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
SCHEMBL22187768 0.98 TSHR (0.35) BBOX1TSHRFAAHCES2CES1
SCHEMBL8532224 0.85 CA1 (0.33) BBOX1
SCHEMBL565353 0.84 BBOX1 (0.36) BBOX1
SCHEMBL367584 0.84 CA1 (0.33) BBOX1TSHRFAAHCES2FABP3
SCHEMBL4253199 0.84 CA1 (0.33) BBOX1TSHRFAAHCES2FABP3
SCHEMBL20853667 0.83 CES2 (0.41) CES2CES1
SCHEMBL5134436 0.81 BBOX1 (0.35) BBOX1
SCHEMBL15065991 0.80 CES2 (0.39) CES2CES1
SCHEMBL10711653 0.80 CES2 (0.39) CES2CES1
SCHEMBL7900186 0.78 CES2 (0.38) CES2CES1

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
US-20070221215-A1 EJECTION LIQUID AND METHOD FOR EJECTING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-09-27 US claimed
CN-114315661-B Aralkyl alcohol polyoxypropylene ether sulfate and preparation and application thereof 中国石油天然气股份有限公司 2023-06-30 CN disclosed
CN-114315661-A Aralkyl alcohol polyoxypropylene ether sulfate and preparation and application thereof 中国石油天然气股份有限公司 2022-04-12 CN disclosed
US-9540559-B2 Betaine surfactants and preparation methods and uses thereof PETROCHINA COMPANY LIMITED (CN) 2017-01-10 US disclosed
CN-103272522-B Aromatic group-containing amine oxide amphoteric surfactant and preparation method and application thereof PETROCHINA CO LTD 2014-09-24 CN disclosed
US-20140113842-A1 BETAINE SURFACTANTS AND PREPARATION METHODS AND USES THEREOF PETROCHINA COMPANY LIMITED (CN) 2014-04-24 US disclosed
CN-103272522-A Aromatic group-containing amine oxide amphoteric surfactant and preparation method and application thereof PETROCHINA CO LTD 2013-09-04 CN disclosed
US-20070221215-A1 EJECTION LIQUID AND METHOD FOR EJECTING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-09-27 US disclosed