SCHEMBL27633705

SCHEMBL27633705

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.31

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
SCHEMBL5177443 0.89 TSHR (0.50) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL4734217 0.89 TSHR (0.50) TSHRALDH1A1TDP1CHRM2CHRM4
SCHEMBL11053273 0.84 TSHR (0.46) TSHRALDH1A1TDP1THRB
SCHEMBL955409 0.83 TSHR (0.42) TSHRALDH1A1TDP1LMNACHRM2
Ammonia Solution, Strong SCHEMBL28882455 0.82 TSHR (0.45) TSHRALDH1A1TDP1THRB
SCHEMBL29728550 0.81 LMNA (0.48) TSHRALDH1A1TDP1LMNACHRM2
SCHEMBL13046364 0.80 ALDH1A1 (0.48) TSHRALDH1A1TDP1THRB
Hydrochloric Acid SCHEMBL29051637 0.80 TSHR (0.43) TSHRALDH1A1TDP1THRB
SCHEMBL5708449 0.80 TSHR (0.43) TSHRALDH1A1TDP1THRB
SCHEMBL8966142 0.79 TSHR (0.46) TSHRALDH1A1TDP1THRB

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
CN-1765880-B Diol (meth) acrylate compound having urethane bond, method for producing the same, and polymer thereof NOF CORP 2011-08-03 CN disclosed
CN-1765880-A Diol (meth) acrylate compound having urethane bond, method for producing the same, and polymer thereof NOF CORP (JP) 2006-05-03 CN disclosed