SCHEMBL8940601

SCHEMBL8940601

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

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL9019353 0.81 TSHR (0.33) TSHRALDH1A1
SCHEMBL33779 0.81 TSHR (0.47) TSHRALDH1A1
SCHEMBL20598132 0.79
Acetic Acid SCHEMBL28158416 0.78 TSHR (0.44) TSHRALDH1A1
Methacrylic Acid SCHEMBL27996428 0.76 TSHR (0.42) TSHRALDH1A1
Cyanamide SCHEMBL28026069 0.76 TSHR (0.42) TSHRALDH1A1
SCHEMBL28318363 0.76 TSHR (0.35) TSHRALDH1A1
SCHEMBL5146416 0.75
Carbamic Acid SCHEMBL28329177 0.75 TSHR (0.41) TSHRALDH1A1
Phosphonic Acid SCHEMBL28048734 0.75 TSHR (0.41) TSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8048720-A None JP disclosed
JP-8053402-A None JP disclosed
JP-8111288-A None JP disclosed
JP-H08111288-A DISPERSION TYPE EL LAMP AND BINDER MATERIAL SHIN ETSU CHEM CO LTD 1996-04-30 JP disclosed
JP-H0853402-A CYANOETHYL FLUOROACRYLATE SHIN ETSU CHEM CO LTD 1996-02-27 JP disclosed
JP-H0848720-A FLUORINE-CONTAINING ACRYLIC ACID CYANOETHYL ESTER POLYMER SHIN ETSU CHEM CO LTD 1996-02-20 JP disclosed