SCHEMBL25908140

SCHEMBL25908140

C=C(C)C(=O)OC(C)(C)CCOC(C)(C)CCOC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 4/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL18545341 0.89 THRB (0.43) THRBTSHR
SCHEMBL22013202 0.83 ALDH1A1 (0.36) THRBTSHR
SCHEMBL1960823 0.82 THRB (0.48) THRBTSHR
SCHEMBL10049532 0.81 THRB (0.37) THRBTSHR
SCHEMBL4569285 0.80 ALDH1A1 (0.35) THRBTSHR
SCHEMBL18458188 0.79 THRB (0.38) THRBTSHR
SCHEMBL8503908 0.79 THRB (0.38) THRBTSHR
SCHEMBL18401055 0.78 THRB (0.42) THRBTSHR
SCHEMBL17659967 0.78
SCHEMBL19085379 0.78 TSHR (0.49) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3794075-B1 MACROMONOMER BASED LIGHT-CURABLE DENTAL IMPRESSION MATERIAL DENTSPLY SIRONA INC (US) 2023-08-02 EP disclosed