SCHEMBL4642537

SCHEMBL4642537

C=C(C)C(=O)OCC(CO)C(OCC1CO1)OCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 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
SCHEMBL4648009 0.87 ALDH1A1 (0.64) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL4642539 0.85 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4
SCHEMBL4866874 0.80 ALDH1A1 (0.66) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL7607159 0.79 ALDH1A1 (0.64) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL7517250 0.78 ALDH1A1 (0.71) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL596349 0.78 ALDH1A1 (0.62) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL4644701 0.77 ALDH1A1 (0.60) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL2048901 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL5098171 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL15617 0.76 ALDH1A1 (1.00) ALDH1A1TSHRTP53CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591098-B1 Cationically curable composition for dental use TOKUYAMA CORP (JP) 2008-08-13 EP disclosed
US-7365106-B2 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2008-04-29 US disclosed
US-20050250868-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-10 US disclosed
EP-1591098-A1 Cationically curable composition for dental use TOKUYAMA CORPORATION (JP) 2005-11-02 EP disclosed