SCHEMBL11046041

SCHEMBL11046041

C=C(C)C(=O)OC[C@@H](O)OC(=O)C(=C)C

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL539233 1.00 TSHR (0.61) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL28973779 0.86 TSHR (0.46) TSHRTHRBALDH1A1TDP1
SCHEMBL8965555 0.85 TSHR (0.53) TSHRTHRBALDH1A1
SCHEMBL8965528 0.83 TSHR (0.56) TSHRTHRBALDH1A1
SCHEMBL26729541 0.83 TSHR (0.61) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL16209800 0.82 THRB (0.56) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL35507 0.81 TSHR (0.63) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL2845656 0.81 TSHR (0.63) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL11596898 0.81 TSHR (0.63) TSHRTHRBALDH1A1TDP1POLB
SCHEMBL6433620 0.81 TSHR (0.63) TSHRTHRBALDH1A1TDP1POLB

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
EP-0102312-A1 Unsaturated polyurethanes THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-03-07 EP disclosed