SCHEMBL11600293

SCHEMBL11600293

C=C(C)C(=O)OCC(CC)OS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.40
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL2857078 0.87 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL3362374 0.79 TSHR (0.63) TSHRTHRBALDH1A1
SCHEMBL18123370 0.79 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL158386 0.79 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL891298 0.79 TSHR (0.57) TSHRTHRBALDH1A1
SCHEMBL10939402 0.77 TSHR (0.55) TSHRTHRBALDH1A1
SCHEMBL11600457 0.77 TSHR (0.50) TSHRTHRBALDH1A1
SCHEMBL537361 0.76 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL8086434 0.76 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL2688086 0.75 TSHR (0.52) TSHRTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4071508-A SIMULTANEOUS POLYMERIZATION PLASTOMEDICAL SCIENCES, INC. (US) 1978-01-31 US disclosed
US-4036788-A Anionic hydrogels based on heterocyclic N-vinyl monomers PLASTOMEDICAL SCIENCES, INC. (US) 1977-07-19 US disclosed