SCHEMBL28857908

SCHEMBL28857908

C=C(C#N)C(=O)O.CCN=C=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
Propane SCHEMBL11541314 0.81 ALDH1A1 (0.52) ALDH1A1TSHR
Methacrylic Acid SCHEMBL436666 0.79 TDP1 (0.31)
Alcohol SCHEMBL28614406 0.79 ALDH1A1 (0.50) ALDH1A1TSHR
Bicarbonate SCHEMBL27491873 0.76
Bicarbonate SCHEMBL20298902 0.76 FFAR3 (0.35) TSHR
Ethane SCHEMBL3278228 0.76
SCHEMBL20472689 0.76 ALDH1A1 (0.42) ALDH1A1TSHR
Water SCHEMBL21525772 0.76
Water SCHEMBL27627574 0.76 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL10422 0.76

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-115172870-A Solid electrolyte, electrode containing solid electrolyte and solid lithium battery 陈本 2022-10-11 CN disclosed