SCHEMBL4644701

SCHEMBL4644701

C=C(C)C(=O)OCC(CO)COCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 5/20 0.42
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4644702 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL22245759 0.82 ALDH1A1 (0.54) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL596349 0.82 ALDH1A1 (0.62) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL9859543 0.81 ALDH1A1 (0.60) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL4648009 0.80 ALDH1A1 (0.64) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL4866878 0.80 ALDH1A1 (0.64) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL14231436 0.80 ALDH1A1 (0.53) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL3685216 0.80 TSHR (0.63) ALDH1A1TSHRTHRBTDP1
SCHEMBL4855582 0.79 ALDH1A1 (0.72) ALDH1A1TSHRTP53CYP3A4THRB
SCHEMBL27522949 0.79 ALDH1A1 (0.62) 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