SCHEMBL9254769

SCHEMBL9254769

C=CC(=O)NC(OC)C(=O)OC.C=COC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.31
TGM2 P21980 1/20 0.31
CYP2C19 P33261 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
SCHEMBL451042 0.91 TSHR (0.52) TSHRALDH1A1TGM2CYP2C19
SCHEMBL8041733 0.81 TSHR (0.47) TSHRALDH1A1TGM2CYP2C19
SCHEMBL11173381 0.80 TSHR (0.45) TSHRALDH1A1CYP2C19
SCHEMBL9257545 0.76 TSHR (0.50) TSHRALDH1A1TGM2CYP2C19
SCHEMBL9257605 0.76 TSHR (0.45) TSHRALDH1A1TGM2
SCHEMBL28979047 0.76 ALDH1A1 (0.43) TSHRALDH1A1
Acetic Acid Methyl Ester SCHEMBL27865410 0.76 ALDH1A1 (0.56) TSHRALDH1A1
SCHEMBL9286940 0.75 TSHR (0.44) TSHRALDH1A1TGM2CYP2C19
SCHEMBL11048396 0.75 TSHR (0.37) TSHRALDH1A1TGM2
SCHEMBL363847 0.75 TSHR (0.52) TSHRALDH1A1TGM2CYP2C19

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
US-5478688-A Liquid developer compositions with charge adjuvants of a copolymer of an alky acrylamidoglycolate alkyl ether and an alkenylester XEROX CORPORATION (US) 1995-12-26 US disclosed