SCHEMBL9019353

SCHEMBL9019353

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

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.32

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
Acetic Acid SCHEMBL28158416 0.83 TSHR (0.44) TSHRALDH1A1
SCHEMBL33779 0.83 TSHR (0.47) TSHRALDH1A1
Methacrylic Acid SCHEMBL27996428 0.82 TSHR (0.42) TSHRALDH1A1
SCHEMBL8940601 0.81 TSHR (0.32) TSHRALDH1A1
Carbamic Acid SCHEMBL28329177 0.80 TSHR (0.41) TSHRALDH1A1
Cyanamide SCHEMBL28026069 0.78 TSHR (0.42) TSHRALDH1A1
Acrylic Acid SCHEMBL28859613 0.77 TSHR (0.39) TSHRALDH1A1
SCHEMBL28318363 0.77 TSHR (0.35) TSHRALDH1A1
SCHEMBL20836416 0.77
SCHEMBL20598132 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8003459-A None JP disclosed
JP-H083459-A FINE HIGH-PERMITTIVITY ORGANIC POLYMER PARTICLE, ITS PRODUCTION, AND HIGH-PERMITTIVITY ORGANIC POLYMER MATERIAL NIPPON KASEI CHEM CO LTD 1996-01-09 JP disclosed