SCHEMBL21984875

SCHEMBL21984875

C=CCCCCOCC(COCCCN)(COCCCN)COCC(COCCCN)(COCCCN)COCCCN

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
TSHR P16473 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
SCHEMBL6924627 0.79 ODC1 (0.43) TSHR
SCHEMBL16807587 0.77 NFKB1 (0.39) TSHR
SCHEMBL9620946 0.77 LPAR3 (0.40) LPAR3LPAR2TSHR
SCHEMBL13345367 0.76 LPAR3 (0.41) LPAR3LPAR2TSHR
SCHEMBL19112580 0.76 ODC1 (0.36) LPAR3LPAR2TSHR
SCHEMBL12317015 0.75 ODC1 (0.39)
SCHEMBL25113324 0.74 LPAR3 (0.44) LPAR3LPAR2TSHR
SCHEMBL3786970 0.72 LPAR3 (0.42) LPAR3LPAR2TSHR
SCHEMBL37316 0.72 LPAR3 (0.48) LPAR3LPAR2TSHR
SCHEMBL9279073 0.71 LPAR3 (0.41) LPAR3LPAR2TSHR

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
EP-3650004-A1 CURABLE DENTAL TWO-PACK COMPOSITION Dentsply DeTrey GmbH (DE) 2020-05-13 EP disclosed