SCHEMBL8755378

SCHEMBL8755378

CC(=O)OC=CC(C)C=O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL8755374 1.00 TSHR (0.33) TSHR
SCHEMBL9337676 0.78
SCHEMBL9337672 0.78
SCHEMBL27724245 0.76
SCHEMBL7596268 0.73 TSHR (0.44) TSHR
SCHEMBL8071264 0.73 TSHR (0.33) TSHR
SCHEMBL7596271 0.73 TSHR (0.44) TSHR
SCHEMBL9421396 0.71 GALR3 (0.32) TSHR
SCHEMBL11747264 0.71 GALR3 (0.32) TSHR
SCHEMBL9421397 0.71 GALR3 (0.32) TSHR

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
EP-0579113-B1 Improved process for preparing cyclic acetals of 3-formyl-2-butenyl-triphenylphosphonium chloride BASF AG (DE) 1997-05-02 EP claimed