SCHEMBL25625939

SCHEMBL25625939

C=C(C)C(=O)OCCC[N+](C)(C)CC(O)CCS(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
BBOX1 O75936 2/20 0.35
THRB P10828 1/20 0.34
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PSMD14 O00487 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL23542780 0.89 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
Sulfuric Acid SCHEMBL27374220 0.84 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16799129 0.84 BBOX1 (0.47) TSHRBBOX1THRBPOLBAPEX1
SCHEMBL25625941 0.82 TSHR (0.41) TSHRBBOX1THRBPSMD14PLA2G1B
SCHEMBL23542781 0.82 TSHR (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18151862 0.82 TSHR (0.46) TSHRBBOX1THRBPOLBAPEX1
SCHEMBL16799567 0.82 TSHR (0.46) TSHRBBOX1THRBPOLBAPEX1
SCHEMBL16799429 0.82 TSHR (0.46) TSHRBBOX1THRBPOLBAPEX1
SCHEMBL16799578 0.82 TSHR (0.46) TSHRBBOX1THRBPOLBAPEX1
SCHEMBL16799049 0.82 TSHR (0.46) TSHRBBOX1THRBPOLBAPEX1

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-20230183515-A1 COATING COMPOSITION, USE AND METHODS FOR MAKING A SUBSTRATE FROST RESISTANT SOLVAY SA (BE) 2023-06-15 US disclosed