SCHEMBL16557008

SCHEMBL16557008

OC1CCC(OC2CCC(OC3CCC(OC4CCC(O)CC4)CC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.33
SHBG P04278 1/20 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
SCHEMBL109719 1.00 TSHR (0.41) TSHREPHX2SHBG
SCHEMBL11868153 0.88 TSHR (0.47) TSHREPHX2
SCHEMBL11510797 0.86 TSHR (0.32) TSHR
SCHEMBL14319842 0.86 TSHR (0.32) TSHRSHBG
SCHEMBL2556322 0.84 HRH1 (0.34) TSHR
SCHEMBL289192 0.80
SCHEMBL29284892 0.80
SCHEMBL14634416 0.80 SCN1A (0.36)
SCHEMBL19992470 0.80 TSHR (0.39) TSHR
SCHEMBL8166800 0.80

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-2438106-B1 OLIGOMERS WITH DI-PHENYLETHYNYL ENDCAPS BOEING CO (US) 2015-03-11 EP disclosed