SCHEMBL10620343

SCHEMBL10620343

CCC(C)(C)OC(=O)CC(C)(OO)OOC(C)(CC(=O)OC(C)(C)CC)OO

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL45349 0.77 TSHR (0.48) TSHRALDH1A1
SCHEMBL2380925 0.77 ALDH1A1 (0.39) TSHRALDH1A1TDP1
SCHEMBL915738 0.76 TSHR (0.48) TSHRALDH1A1
SCHEMBL2616337 0.75 ALDH1A1 (0.35) TSHRALDH1A1TDP1
Ethane SCHEMBL28422864 0.74 ALDH1A1 (0.38) TSHRALDH1A1TDP1
SCHEMBL9148867 0.74 TSHR (0.37) TSHRALDH1A1TDP1
SCHEMBL11313847 0.72 TSHR (0.67) TSHRALDH1A1TDP1
SCHEMBL12873376 0.72 ALDH1A1 (0.32) TSHRALDH1A1TDP1
SCHEMBL142215 0.72 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL620517 0.72 GAA (0.42) TSHRALDH1A1TDP1

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
JP-63051410-A None JP disclosed
JP-S6351410-A NOVEL CURING METHOD FOR ACRYLIC SYRUP AND/OR POLYFUNCTIONAL ACRYLATE KAYAKU NUURII KK 1988-03-04 JP disclosed