SCHEMBL9752370

SCHEMBL9752370

C=CCOC(=O)OOOC(C)(C)CCC(C)(C)OOOC(=O)OCC=C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
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
SCHEMBL8076124 0.92 TSHR (0.38) TSHRCYP3A4
SCHEMBL10911224 0.87 TSHR (0.33) TSHRCYP3A4TDP1
SCHEMBL11298530 0.87 TSHR (0.48) TSHRCYP3A4MAPT
SCHEMBL492248 0.86 TSHR (0.36) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL9752447 0.85
SCHEMBL10939915 0.80 TDP1 (0.36) TSHRCYP3A4TDP1
SCHEMBL29876466 0.79 CYP3A4 (0.42) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL6565508 0.78 TSHR (0.38) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL11517813 0.78 TSHR (0.47) TSHRMAPTCACNA1BAPBA1
SCHEMBL7930937 0.77 TSHR (0.35) TSHRCYP3A4TDP1MAPTCACNA1B

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
WO-1991000301-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES AKZO N.V. (NL) 1991-01-10 WO claimed
WO-1991000301-A1 (CO)POLYMER MODIFICATION EMPLOYING UNSATURATED t-ALKYL PEROXYALKENYL CARBONATES AKZO N.V. (NL) 1991-01-10 WO disclosed