SCHEMBL14280608

SCHEMBL14280608

COCCOC(=O)C(C)(C)I

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL3187603 0.91 POLB (0.33) TSHRALDH1A1POLBGAANPSR1
SCHEMBL4156487 0.81 POLB (0.43) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL3200994 0.79 TSHR (0.38) TSHRALDH1A1POLBGAANPSR1
SCHEMBL31629763 0.79 TSHR (0.41) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL5613419 0.79 HCAR2 (0.39) TSHRALDH1A1
SCHEMBL23049685 0.77 TSHR (0.39) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL4608266 0.77 TSHR (0.44) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL18842478 0.77 TSHR (0.39) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL9937736 0.77 TSHR (0.39) TSHRALDH1A1SMN1; SMN2POLBGAA
SCHEMBL14280639 0.77 THRB (0.43) TSHRALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021185-A1 initiator systems; block polymers of vinyl acetate, vinyl alcohol, or polyvinyl butyral; use as water-soluble films, biodegradable and water-soluble polymers, detergents, in adhesives and as emulsifier; e.g. star polyethylene glycol modified with polyvinyl alcohol groups through a phenylene spacer CELANESE VENTURES GMBH (DE) 2008-01-24 US disclosed