SCHEMBL4711042

SCHEMBL4711042

CCC1(COCC2(COCC3(CC)COC3)CCCCC2)COC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL2734301 0.90 TSHR (0.32) TSHR
SCHEMBL30692514 0.89 TSHR (0.30) TSHR
SCHEMBL439901 0.87 TSHR (0.36) TSHR
SCHEMBL6015433 0.85 TSHR (0.33) TSHR
SCHEMBL26073685 0.85 TSHR (0.35) TSHR
Ethylene Glycol SCHEMBL2520627 0.84 EPHX1 (0.37) TSHR
SCHEMBL13219657 0.82 TSHR (0.31) TSHR
SCHEMBL17511134 0.80
SCHEMBL21980527 0.80
SCHEMBL22727782 0.80 TSHR (0.31) 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
WO-2008111640-A1 OXETHANE RESIN COMPOSITION NIPPON STEEL CHEMICAL CO., LTD. (JP) 2008-09-18 WO disclosed