SCHEMBL6886771

SCHEMBL6886771

C=CCCCCCCCCC(=O)NCC=C

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
MAPT P10636 2/20 0.73
FAAH O00519 3/20 0.70
ALDH1A1 P00352 2/20 0.63
ABCC4 O15439 1/20 0.55
LMNA P02545 1/20 0.53
HPGD P15428 3/20 0.46
HTT P42858 1/20 0.46
TRPV1 Q8NER1 1/20 0.45
CYP3A4 P08684 1/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11327844 1.00 TSHR (0.80) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL31362199 0.92 MAPT (0.79) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL31362201 0.92 MAPT (0.79) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL26092952 0.92 TSHR (0.95) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL26094938 0.92 TSHR (0.95) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL25702503 0.92 TSHR (0.95) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL6687715 0.89 TSHR (1.00) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL5364934 0.86 ALDH1A1 (0.66) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL13346193 0.86 ALDH1A1 (0.66) TSHRSMN1; SMN2MAPTFAAHALDH1A1
SCHEMBL7202057 0.84 TSHR (0.80) TSHRSMN1; SMN2MAPTFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756500-B1 SUBJECTING SUBSTITUTED ALPHA, OMEGA-DIENE IN PRESENCE OF RUTHENIUM, OSMIUM OR MOLYBDENUM HOMOGENEOUS OR HETEROGENEOUS CATALYST TO METATHESIS REACTION IN PRESENCE OF IONIC LIQUID TO FORM CYCLIC COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2004-06-29 US claimed
EP-1035093-B1 Metathesis in the presence of ionic liquids BAYER AG (DE) 2003-09-10 EP claimed
US-20170037282-A1 ADHESIVES COMPRISING (METH)ALLYL CROSSLINKER AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-02-09 US disclosed
WO-2015157350-A1 ADHESIVES COMPRISING (METH)ALLYL CROSSLINKER AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-10-15 WO disclosed
US-6756500-B1 SUBJECTING SUBSTITUTED ALPHA, OMEGA-DIENE IN PRESENCE OF RUTHENIUM, OSMIUM OR MOLYBDENUM HOMOGENEOUS OR HETEROGENEOUS CATALYST TO METATHESIS REACTION IN PRESENCE OF IONIC LIQUID TO FORM CYCLIC COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2004-06-29 US disclosed