SCHEMBL11518917

SCHEMBL11518917

C=CC(=O)OC(CCC)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.31
CTSK P43235 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
SCHEMBL3281773 0.87 TSHR (0.43) TSHRHPGD
SCHEMBL11590481 0.85 TSHR (0.39) TSHRHPGDTHRBCTSK
SCHEMBL11590360 0.83 TSHR (0.38) TSHRHPGDTHRBCTSK
SCHEMBL5504190 0.81 TSHR (0.41) TSHRHPGDTHRBCTSK
SCHEMBL11591610 0.81 TSHR (0.43) TSHRHPGDTHRBCTSK
SCHEMBL11593256 0.80 TSHR (0.39) TSHRHPGDTHRBCTSK
SCHEMBL1614909 0.79 TSHR (0.38) TSHRHPGDTHRB
SCHEMBL3281067 0.78 TSHR (0.47) TSHRHPGD
SCHEMBL16295832 0.77 TSHR (0.38) TSHRHPGDTHRBCTSK
SCHEMBL11874447 0.74 TSHR (0.37) TSHRHPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 US claimed
US-4163092-A QUATERNIZED MONOMER, CROSS-LINKING AGENT PLASTOMEDICAL SCIENCES, INC. (US) 1979-07-31 US disclosed
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 US disclosed
US-4060678-A Cationic hydrogels based on hydroxyalkyl acrylates and methacrylates PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-29 US disclosed
US-4058491-A Cationic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-11-15 US disclosed