SCHEMBL26501534

SCHEMBL26501534

C=C(C)C(=O)OCCNC(=O)OCCCN1C(=O)C(=C)CC(C)(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 6/20 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
SCHEMBL26501540 0.96 TSHR (0.36) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24410513 0.83
SCHEMBL26501827 0.80
SCHEMBL26501739 0.77 TSHR (0.35) TSHRPOLBAPEX1HTTTDP1
SCHEMBL24410784 0.75
SCHEMBL10057616 0.73 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14368843 0.73 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL17286211 0.72 HTT (0.42) TSHRHTTACHE
SCHEMBL10057618 0.72 TSHR (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL275243 0.72 TSHR (0.61) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed
US-20230323151-A1 IMIDE ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY 2023-10-12 US disclosed