SCHEMBL28223178

SCHEMBL28223178

C=C(CCO)C(=O)OC.N=C=O.N=C=O

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 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
SCHEMBL356136 0.89
SCHEMBL28236733 0.87
SCHEMBL27729609 0.84 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28207880 0.82 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL27729579 0.81 CES1 (0.37) ALDH1A1TSHR
SCHEMBL27729459 0.79 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL11603931 0.78 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL998271 0.77 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL21811809 0.75 ALDH1A1 (0.41) ALDH1A1TSHR
Ethylene Glycol SCHEMBL27896041 0.75 ALDH1A1 (0.41) ALDH1A1TSHR

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
CN-104853693-B For producing the d-making material system of dental product 邓特斯普里国际公司 2018-06-26 CN disclosed