SCHEMBL29323714

SCHEMBL29323714

C=C(C)C(=O)OCCS(=O)(=O)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 2/20 0.35
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29323688 0.86 ALDH1A1 (0.39) THRBTSHRALDH1A1
SCHEMBL29323669 0.79 THRB (0.41) THRBTSHRALDH1A1EPHX1CA1
SCHEMBL9228965 0.79 THRB (0.53) THRBTSHRALDH1A1CA1CA2
SCHEMBL16874410 0.78 THRB (0.46) THRBTSHRALDH1A1EPHX1SMN1; SMN2
SCHEMBL22567313 0.78 THRB (0.46) THRBTSHRALDH1A1EPHX1SMN1; SMN2
SCHEMBL1394651 0.78 THRB (0.46) THRBTSHRALDH1A1EPHX1SMN1; SMN2
SCHEMBL29323667 0.78 TSHR (0.41) THRBTSHRALDH1A1EPHX1LMNA
SCHEMBL29323691 0.77 THRB (0.42) THRBTSHRALDH1A1EPHX1CA1
SCHEMBL23494221 0.76 THRB (0.47) THRBTSHRALDH1A1EPHX1CA1
SCHEMBL3291007 0.76 THRB (0.55) THRBTSHRALDH1A1CA1CA2

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