SCHEMBL786700

SCHEMBL786700

C=C(C)C(=O)OCC(=O)N1OCCC1OC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.32
THRB P10828 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
SCHEMBL774863 0.72 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL775001 0.71 ALDH1A1 (0.36) ALDH1A1TSHRTHRB
SCHEMBL775402 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL774869 0.70 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10150993 0.68 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1518882 0.62 ALDH1A1 (0.47) ALDH1A1TSHRTHRB
SCHEMBL328665 0.61 MAPK1 (0.47) ALDH1A1TSHR
SCHEMBL29544358 0.61 NAAA (0.44) ALDH1A1TSHRTHRB
SCHEMBL9704499 0.60 TSHR (0.54) ALDH1A1TSHRTHRB
SCHEMBL1389549 0.60 TSHR (0.54) ALDH1A1TSHRTHRB

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-20120070778-A1 RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-22 US disclosed