SCHEMBL7202326

SCHEMBL7202326

C=CCOC(=O)C(OC(C)C)(OC(C)C)C(C)=O.[Al]

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL27551330 0.78 MMP8 (0.40) MAPT
SCHEMBL9738748 0.77 MMP8 (0.39) MAPT
SCHEMBL27610857 0.72 TSHR (0.36) TDP1TSHR
SCHEMBL27734931 0.72 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL877587 0.71 TSHR (0.41) TDP1TSHRCYP3A4MAPTCACNA1B
Propylene Glycol SCHEMBL1075330 0.71 CYP3A4 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL1367845 0.71 TSHR (0.38) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL11649534 0.71 TDP1 (0.42) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL9064424 0.70 TSHR (0.39) TSHR
SCHEMBL27702221 0.70 TSHR (0.39) TSHR

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
EP-1188794-B1 Flame-retardant thermoplastic resin composition and manufacturing method thereof DOW CORNING TORAY SILICONE (JP) 2003-07-23 EP disclosed
EP-1188794-A1 Flame-retardant thermoplastic resin composition and manufacturing method thereof Dow Corning Toray Silicone Co., Ltd. (JP) 2002-03-20 EP disclosed