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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30216950

CC(C)(C)c1cc(C[n+]2cccc(CC(=O)NN)c2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(C[n+]2cccc(CC(=O)NN)c2)cc(C(C)(C)C)c1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ AOC2 O75106 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC1 Q13547 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
Trifluoroacetic Acid SCHEMBL30216955 0.84 L3MBTL1 (0.40) NPSR1L3MBTL1ALDH1A1MEN1MAPT
Trifluoroacetic Acid SCHEMBL30216947 0.82 SMN1; SMN2 (0.44) L3MBTL1ALDH1A1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL30320103 0.78 L3MBTL1 (0.37) ACHENPSR1L3MBTL1AOC2CYP1A2
Trifluoroacetic Acid SCHEMBL30216952 0.77 MEN1 (0.44) CYP3A4ALDH1A1MEN1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL23326584 0.77 CYP1A2 (0.39) NPSR1L3MBTL1AOC2CYP1A2CYP3A4
SCHEMBL26414624 0.77 ALDH1A1 (0.40) ACHEBCHENPSR1L3MBTL1ALDH1A1
SCHEMBL26087979 0.76 NPSR1 (0.56) ACHEBCHENPSR1L3MBTL1AOC2
Bromide SCHEMBL26086357 0.76 ALDH1A1 (0.40) ACHEBCHENPSR1L3MBTL1ALDH1A1
SCHEMBL26414135 0.75 L3MBTL1 (0.46) NPSR1L3MBTL1AOC2CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL23326582 0.73 CYP1A2 (0.36) NPSR1L3MBTL1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4153565-A1 BENZYLPYRIDINIUM REAGENT FOR MASS SPECTROMETRY F. Hoffmann-La Roche AG (CH) 2023-03-29 — — EP disclosed
CN-115667220-A Benzyl pyridinium reagent for mass spectrum 豪夫迈·罗氏有限公司 2023-01-31 — — CN disclosed