SCHEMBL10707646

SCHEMBL10707646

C=C(C)C(=O)OCCOC(C=CC#N)COC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL10876486 0.96 THRB (0.44) TSHRTHRB
SCHEMBL6232828 0.85 TSHR (0.47) TSHRTHRB
SCHEMBL20684447 0.74 THRB (0.49) TSHRTHRB
Acrylonitrile SCHEMBL6156283 0.71 THRB (0.49) TSHRTHRB
SCHEMBL301506 0.71 THRB (0.49) TSHRTHRB
Water SCHEMBL1765013 0.71 THRB (0.71) TSHRTHRB
SCHEMBL987048 0.71 TSHR (0.66) TSHRTHRB
SCHEMBL371302 0.71 TSHR (0.41) TSHRTHRB
SCHEMBL13337720 0.71 TSHR (0.66) TSHRTHRB
Acrylonitrile SCHEMBL9562747 0.69 THRB (0.46) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0105201-B1 CHELATE RESINS, PROCESS FOR THEIR PRODUCTION AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-17 EP disclosed
US-4605706-A REACTING NITRILE-FUNCTIONAL POLYMER WITH A HYDROXYLAMINE AND AN AMINO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-08-12 US disclosed
US-4564659-A NITRILE POLYMER, HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-14 US disclosed
EP-0105201-A2 Chelate resins, process for their production and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-11 EP disclosed