SCHEMBL26345433

SCHEMBL26345433

C=C(C)C(=O)OCCNC(=O)OCCCCOC(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ACHE P22303 13/20 0.44
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL22648008 0.91 THRB (0.44) TSHRACHEHTTALDH1A1
SCHEMBL14368843 0.89 TSHR (0.58) TSHRACHEPOLBAPEX1HTT
SCHEMBL10057618 0.88 TSHR (0.61) TSHRACHEPOLBAPEX1HTT
SCHEMBL275243 0.88 TSHR (0.61) TSHRACHEPOLBAPEX1HTT
SCHEMBL13555738 0.88 TSHR (0.48) TSHRACHEPOLBAPEX1HTT
SCHEMBL10057616 0.86 TSHR (0.53) TSHRACHEPOLBAPEX1HTT
SCHEMBL2608240 0.86 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL26345375 0.86 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24041249 0.85 ACHE (0.51) TSHRACHEPOLBAPEX1HTT
SCHEMBL2608243 0.85 TSHR (0.65) TSHRPOLBAPEX1HTTTDP1

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-20230303898-A1 (METH)ACRYLATE STRUCTURAL ADHESIVES AND METHODS COMPANY, 3M IP 2023-09-28 US disclosed