SCHEMBL7701340

SCHEMBL7701340

C=C(C)C(=O)OC(C)(C)CCCC(C)(C)OC(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7706303 0.96 ALDH1A1 (0.41) ALDH1A1TSHRGAATHRB
SCHEMBL7706289 0.94 TSHR (0.41) ALDH1A1TSHRGAATHRB
SCHEMBL7701376 0.94 TSHR (0.41) ALDH1A1TSHRGAATHRB
SCHEMBL7709308 0.94 TSHR (0.41) ALDH1A1TSHRGAATHRB
SCHEMBL1067047 0.91 ALDH1A1 (0.44) ALDH1A1TSHRGAATHRB
SCHEMBL20111949 0.91 ALDH1A1 (0.34) ALDH1A1TSHRGAATHRB
SCHEMBL19019797 0.90 CYP4F2 (0.37) ALDH1A1TSHRGAATHRB
SCHEMBL703086 0.90 TSHR (0.47) ALDH1A1TSHRGAATHRB
SCHEMBL19019798 0.88 CYP4F2 (0.40) ALDH1A1TSHRGAATHRB
SCHEMBL5856021 0.88 TSHR (0.50) 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-6355702-B1 HEAT DECOMPOSITION OF ACRYLIC RESIN; CURING; CROSSLINKED NETWORK CORNELL RESEARCH FOUNDATION, INC. 2002-03-12 US disclosed