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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29617362

N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.60

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.60
▸ MME P08473 1/20 0.52
▸ BACE1 P56817 9/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.50
▸ ACE P12821 1/20 0.49
▸ SLC15A1 P46059 1/20 0.49
▸ CTSD P07339 1/20 0.49

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
SCHEMBL3732243 0.94 NAALAD2 (0.68) NAALAD2MMEBACE1BACE2ACE
SCHEMBL2980529 0.94 NAALAD2 (0.68) NAALAD2MMEBACE1BACE2ACE
SCHEMBL29602993 0.94 NAALAD2 (0.68) NAALAD2MMEBACE1BACE2ACE
SCHEMBL3748615 0.94 NAALAD2 (0.68) NAALAD2MMEBACE1BACE2ACE
SCHEMBL27914476 0.94 NAALAD2 (0.68) NAALAD2MMEBACE1BACE2ACE
SCHEMBL8821940 0.91 NAALAD2 (0.64) NAALAD2MMEBACE1BACE2SLC15A1
SCHEMBL29827935 0.90 NAALAD2 (0.67) NAALAD2MMEBACE1BACE2CTSD
SCHEMBL29469738 0.89 NAALAD2 (0.61) NAALAD2MMEBACE1BACE2CTSD
SCHEMBL29531169 0.88 NAALAD2 (0.60) NAALAD2MMEBACE1BACE2CTSD
SCHEMBL29603611 0.88 NAALAD2 (0.60) NAALAD2MMEBACE1BACE2CTSD

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
CN-111875668-B Synthetic method of cyclic dipeptide containing glutamine or asparagine 陕西慧康生物科技有限责任公司 2022-05-27 — — CN disclosed