SCHEMBL20008874

SCHEMBL20008874

CCC(OC(=O)C1CCCC(C(=O)OC(CS(=O)(=O)O)C(F)(F)F)C1)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL18775634 0.88 HTT (0.32) SMN1; SMN2
SCHEMBL17717460 0.85 ADRB2 (0.33) SMN1; SMN2
SCHEMBL17717458 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL18775667 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL18775664 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL24861569 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL18775650 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL18775718 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL18775689 0.84 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL18775660 0.84 ALDH1A1 (0.33) SMN1; SMN2

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-20180085019-A1 ADHESIVE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING A BIO-ELECTRODE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-03-29 — — US disclosed
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