SCHEMBL13397697

SCHEMBL13397697

C=C(C)C(=O)OCCOCC(C)OC

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29519175 0.92 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL31208489 0.92 THRB (0.50) THRBTSHRALDH1A1TDP1POLB
SCHEMBL169664 0.86 THRB (0.58) THRBTSHRALDH1A1TDP1POLB
SCHEMBL31591535 0.86 THRB (0.58) THRBTSHRALDH1A1TDP1POLB
SCHEMBL10893401 0.85 THRB (0.56) THRBTSHRALDH1A1TDP1POLB
SCHEMBL16308965 0.85 THRB (0.56) THRBTSHRALDH1A1TDP1POLB
SCHEMBL4644631 0.84 TSHR (0.68) THRBTSHRALDH1A1TDP1POLB
SCHEMBL1336820 0.83 TSHR (0.73) THRBTSHRALDH1A1TDP1POLB
SCHEMBL1905184 0.83 THRB (0.54) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL3377998 0.83 THRB (0.54) THRBTSHRALDH1A1TDP1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642165-B2 Organic-inorganic hybrid composition FUJIFILM CORPORATION (JP) 2014-02-04 US disclosed
US-20100104842-A1 ORGANIC-INORGANIC HYBRID COMPOSITION FUJIFILM CORPORATION (JP) 2010-04-29 US disclosed