SCHEMBL29323677

SCHEMBL29323677

C=C(C)C(=O)OCCS(=O)(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.47
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 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
SCHEMBL12204609 0.90 THRB (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL12221366 0.81 THRB (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9228965 0.80 THRB (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29323674 0.79 TSHR (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL14895 0.79 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2936706 0.79 THRB (0.52) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL29323666 0.78 TSHR (0.40) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL23607566 0.77 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
Ammonia Solution, Strong SCHEMBL1252864 0.77 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1
Methane SCHEMBL8400058 0.77 THRB (0.50) TSHRTHRBALDH1A1POLBAPEX1

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-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed