Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28537927

NCCC(N)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.54
▸ GRM8 O00222 1/20 0.46
▸ GRM6 O15303 1/20 0.46
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GRIK1 P39086 1/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ GRIA2 P42262 1/20 0.46
▸ GRIA3 P42263 1/20 0.46
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ GRIA4 P48058 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIK2 Q13002 1/20 0.46
▸ GRIK3 Q13003 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46

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
Ornithine SCHEMBL6265609 0.88 GSR (0.67) GSRGRM8GRM6GRIN2DGRIN3B
Ornithine Aketoglutarate SCHEMBL6265607 0.88 GSR (0.67) GSRGRM8GRM6GRIN2DGRIN3B
SCHEMBL29479228 0.86 — —
SCHEMBL34706 0.86 — —
SCHEMBL34705 0.86 — —
SCHEMBL288792 0.86 — —
Lysine SCHEMBL7446194 0.86 GSR (0.77) GSRGRM8GRM6GRIN2DGRIN3B
Lysine SCHEMBL31374697 0.86 GSR (0.77) GSRGRM8GRM6GRIN2DGRIN3B
Lysine SCHEMBL10450567 0.86 GSR (0.77) GSRGRM8GRM6GRIN2DGRIN3B
Lysine SCHEMBL8138033 0.86 GSR (0.77) GSRGRM8GRM6GRIN2DGRIN3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112457218-B Synthesis method of 2, 4-diaminobutyric acid derivative 宁夏医科大学 2022-08-09 — — CN claimed
CN-112457218-A Synthesis method of 2, 4-diaminobutyric acid derivative 宁夏医科大学 2021-03-09 — — CN claimed
CN-112457218-B Synthesis method of 2, 4-diaminobutyric acid derivative 宁夏医科大学 2022-08-09 — — CN disclosed
CN-112457218-A Synthesis method of 2, 4-diaminobutyric acid derivative 宁夏医科大学 2021-03-09 — — CN disclosed
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