SCHEMBL26650545

SCHEMBL26650545

CCCC/C=C\CC/C=C\CCCCCC(OCC)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
LPAR2 Q9HBW0 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
LPAR1 Q92633 1/20 0.40
TOP1 P11387 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL10390187 0.98 FAAH (0.42) FAAHTRPV1F7F3LPAR2
SCHEMBL10390188 0.98 FAAH (0.42) FAAHTRPV1F7F3LPAR2
SCHEMBL34463873 0.94 FAAH (0.47) FAAHTRPV1LPAR3ALDH1A1CNR1
SCHEMBL6889318 0.91 PPARG (0.42) FAAHALDH1A1CNR1CNR2
SCHEMBL30587687 0.91 PPARG (0.42) FAAHALDH1A1CNR1CNR2
SCHEMBL24141752 0.91 PPARG (0.42) FAAHALDH1A1CNR1CNR2
SCHEMBL28851132 0.90 FAAH (0.38) FAAHTRPV1LPAR3ALDH1A1CNR1
SCHEMBL6436391 0.90 FAAH (0.47) FAAHTRPV1LPAR3ALDH1A1CNR1
SCHEMBL6436392 0.90 FAAH (0.47) FAAHTRPV1LPAR3ALDH1A1CNR1
SCHEMBL20912483 0.89 ALDH1A1 (0.50) TRPV1F7F3ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4063376-B1 11-HALO-1,1-DIALKOXY-7-UNDECENE COMPOUND AND PROCESSES FOR PREPARING A 11,11-DIALKOXY-4-UNDECENYLTRIARYLPHOSPHONIUM HALIDE COMPOUND, A TRIENAL COMPOUND, AND A DIENAL COMPOUND SHINETSU CHEMICAL CO (JP) 2023-11-22 EP disclosed
CN-115109088-A Substituted undecene compounds and substituted undecenyltriarylphosphonium halides and methods of making compounds and mixtures therefrom 信越化学工业株式会社 2022-09-27 CN disclosed