SCHEMBL16127100

SCHEMBL16127100

CC1(F)Oc2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2O1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.39
▸ LIPG Q9Y5X9 6/20 0.39
▸ ROCK1 Q13464 1/20 0.33
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 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
SCHEMBL16042784 0.88 LPL (0.39) LPLLIPGROCK1CA1CA2
SCHEMBL19667742 0.76 LPL (0.40) LPLLIPGROCK1
SCHEMBL15335297 0.75 LPL (0.39) LPLLIPGROCK1
SCHEMBL6691092 0.74 LPL (0.50) LPLLIPGROCK1CA1CA2
SCHEMBL26153570 0.72 LPL (0.48) LPLLIPGROCK1CA1CA2
SCHEMBL17973970 0.71 AKT1 (0.36) —
SCHEMBL59540 0.71 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL29016499 0.71 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL587558 0.71 LPL (0.47) LPLLIPGROCK1CA1CA2
SCHEMBL530658 0.71 LPL (0.47) LPLLIPGROCK1CA1CA2

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
WO-2014151008-A1 4-AMINO-6-(HETEROCYCLIC)PICOLINATES AND 6-AMINO-2-(HETEROCYCLIC)PYRIMIDINE-4-CARBOXYLATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2014-09-25 — — WO disclosed
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