SCHEMBL20214149

SCHEMBL20214149

CC(=O)OC(O)/C=C\C(O)OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH1 P35367 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7866071 0.87
SCHEMBL1446304 0.78
SCHEMBL27899270 0.78 TSHR (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL30297359 0.73 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL30297387 0.73 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4333562 0.71
SCHEMBL6561830 0.71 TSHR (0.56) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29860909 0.71 TSHR (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL132424 0.69
SCHEMBL7540217 0.67 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548501-B1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS UNIV WARSZAWSKI (PL) 2021-02-17 EP disclosed
EP-3548501-A1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS Uniwersytet Warszawski (PL) 2019-10-09 EP disclosed
WO-2018100515-A1 NOVEL RUTHENIUM COMPLEX, METHOD OF ITS PRODUCTION AND ITS USE IN REACTION OF OLEFINE METATHESIS UNIWERSYTET WARSZAWSKI (PL) 2018-06-07 WO disclosed