SCHEMBL4648012

SCHEMBL4648012

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PRKCA P17252 2/20 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
SCHEMBL4642539 0.88 ALDH1A1 (0.40) ALDH1A1TP53CYP3A4
SCHEMBL4648009 0.84 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4PRKCA
SCHEMBL4644702 0.81 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4
SCHEMBL147020 0.80 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4
SCHEMBL4416081 0.80 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4
Phosphoric Acid SCHEMBL27533461 0.75 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4
SCHEMBL27397026 0.74 TSHR (0.39) ALDH1A1TP53CYP3A4
Methacrylic Acid SCHEMBL5690251 0.73 ALDH1A1 (0.45) ALDH1A1
Methacrylic Acid SCHEMBL19280555 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL42453 0.73 ALDH1A1 (0.45) 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