SCHEMBL4644702

SCHEMBL4644702

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4644701 0.85 ALDH1A1 (0.60) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL4648012 0.81 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4
SCHEMBL14231436 0.79 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL4416081 0.77 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4
SCHEMBL147020 0.77 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4
SCHEMBL4642539 0.77 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4
SCHEMBL27999557 0.77 ALDH1A1 (0.47) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL6430794 0.75 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4TSHRMAPK1
Ether SCHEMBL19357308 0.74 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4TSHRMAPK1
Phosphoric Acid SCHEMBL27533461 0.73 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4

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