SCHEMBL2917316

SCHEMBL2917316

C=C(C)C(=O)OCCC[CH]CC[N+](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
THRB P10828 1/20 0.46
CHRM5 P08912 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTR1A P08908 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
PGR P06401 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
APEX1 P27695 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL16735437 0.95 TSHR (0.51) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL4453919 0.94 TSHR (0.54) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL5708424 0.94 TSHR (0.54) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL23754643 0.88 TSHR (0.60) TSHRTHRBAPEX1POLBHTT
SCHEMBL16275001 0.88 TSHR (0.54) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL16735442 0.87 TSHR (0.45) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL17964309 0.85 TSHR (0.50) TSHRTHRBCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL352728 0.83 TSHR (0.58) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL202124 0.83 TSHR (0.58) TSHRTHRBCHRM5CHRM1CHRM3
SCHEMBL7715736 0.81 TSHR (0.62) TSHRTHRBAPEX1POLBHTT

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
EP-3666299-A1 ANTI-THROMBOGENIC MEDICAL DEVICES AND METHODS Covidien LP (US) 2020-06-17 EP disclosed
EP-3400973-A1 METHOD OF MANUFACTURING ANTI-THROMBOGENIC MEDICAL DEVICES Covidien LP (US) 2018-11-14 EP disclosed
EP-2875833-A1 Anti-thrombogenic medical devices and methods Covidien LP (US) 2015-05-27 EP disclosed
WO-2013103257-A1 OUTSTANDINGLY CONTAMINATION RESISTANT REVERSE OSMOSIS MEMBRANE AND PRODUCTION METHOD THEREFOR 주식회사 엘지화학 (KR) 2013-07-11 WO disclosed
EP-2226075-A1 MATERIAL FOR PREVENTING TISSUE ADHESION AND MATERIAL FOR PREVENTING JOINT CONTRACTURE The University of Tokyo (JP) 2010-09-08 EP disclosed