SCHEMBL29323669

SCHEMBL29323669

C=C(C)C(=O)OCCS(=O)(=O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.39
EPHX1 P07099 1/20 0.37
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL29323691 0.98 THRB (0.42) THRBTSHRALDH1A1EPHX1POLB
SCHEMBL29323689 0.85 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29324278 0.82 ALDH1A1 (0.36) TSHRALDH1A1EPHX1CA2
SCHEMBL29323714 0.79 THRB (0.39) THRBTSHRALDH1A1EPHX1POLB
SCHEMBL29323753 0.77 TSHR (0.39) THRBTSHRALDH1A1EPHX1
SCHEMBL29323670 0.76 TSHR (0.46) THRBTSHRALDH1A1
SCHEMBL29323665 0.76
Cyclopropane SCHEMBL420362 0.75 THRB (0.65) THRBTSHRALDH1A1EPHX1POLB
Cyclohexane SCHEMBL117214 0.75 THRB (0.65) THRBTSHRALDH1A1EPHX1POLB
Cyclopentane SCHEMBL2397167 0.75 THRB (0.65) THRBTSHRALDH1A1EPHX1POLB

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-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
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