Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21611137

Cc1cc(F)ccc1-c1cnc2ccn(CC(=O)N3CCC3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.91
▸ GRIN1 Q05586 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66

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
SCHEMBL18363306 0.95 GRIN2B (1.00) GRIN2BGRIN1KCNH2
Trifluoroacetic Acid SCHEMBL21611140 0.89 GRIN2B (0.91) GRIN2B
Trifluoroacetic Acid SCHEMBL21611160 0.89 GRIN2B (0.91) GRIN2BGRIN1KCNH2
Trifluoroacetic Acid SCHEMBL21611134 0.88 GRIN2B (0.91) GRIN2BGRIN1KCNH2
SCHEMBL18363269 0.85 GRIN2B (1.00) GRIN2B
SCHEMBL18363398 0.84 GRIN2B (1.00) GRIN2B
SCHEMBL18363401 0.84 GRIN2B (1.00) GRIN2BGRIN1KCNH2
SCHEMBL18363273 0.83 GRIN2B (1.00) GRIN2BGRIN1KCNH2
SCHEMBL18363301 0.83 GRIN2B (1.00) GRIN2BGRIN1KCNH2
SCHEMBL18363302 0.83 GRIN2B (1.00) GRIN2BGRIN1KCNH2

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-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 — — EP disclosed
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