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Sugi Predict / Compounds / Formic Acid

Formic Acid

Formic Acid

SCHEMBL1979187

C[C@]1(c2cc(NC(=O)c3coc(CF)n3)ccc2F)OC(N)=NCC1(F)F.O=CO

nearest known ligand 0.61

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 0.61
▸ CTSD P07339 1/20 0.53

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
SCHEMBL1982781 0.90 BACE1 (0.57) BACE1CTSD
SCHEMBL2006493 0.90 BACE1 (0.55) BACE1CTSD
SCHEMBL1979981 0.86 BACE1 (0.64) BACE1
Formic Acid SCHEMBL1977863 0.82 BACE1 (0.64) BACE1
Formic Acid SCHEMBL1975928 0.82 BACE1 (0.64) BACE1
SCHEMBL1979162 0.80 BACE1 (0.59) BACE1
SCHEMBL1979229 0.79 BACE1 (0.66) BACE1
SCHEMBL6891038 0.78 BACE1 (0.68) BACE1
SCHEMBL1981723 0.78 BACE1 (0.58) BACE1
SCHEMBL1979443 0.78 BACE1 (0.51) BACE1

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-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — WO disclosed