SCHEMBL13475738

SCHEMBL13475738

C=C(C)C(=O)OCCOC(=O)CCC(=O)OC1CSCCCCCSC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.38
▸ TSHR P16473 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NAAA Q02083 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BLM P54132 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
SCHEMBL13475743 0.99 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13475730 0.96 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13475669 0.85 THRB (0.32) THRB
SCHEMBL13475692 0.85 THRB (0.35) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12901916 0.84 THRB (0.37) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13475729 0.82 NAAA (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13925065 0.80 THRB (0.38) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13925061 0.79 THRB (0.32) THRB
SCHEMBL13475736 0.79 TSHR (0.37) TSHRALDH1A1
SCHEMBL13475697 0.79 THRB (0.36) THRBTSHR

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
EP-1928929-B1 CURABLE COMPOSITIONS CONTAINING DITHIANE MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2010-02-17 — — EP disclosed
US-7495054-B2 Curable compositions containing dithiane monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-24 — — US disclosed
US-7495054-B2 Curable compositions containing dithiane monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-02-24 — — US disclosed
WO-2007035735-A1 CURABLE COMPOSITIONS CONTAINING DITHIANE MONOMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-03-29 — — WO disclosed
US-20070066748-A1 Curable compositions containing dithiane monomers 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 — — US disclosed
US-20070066748-A1 Curable compositions containing dithiane monomers 3M INNOVATIVE PROPERTIES COMPANY 2007-03-22 — — US disclosed
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