Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30061795

C[C@@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ FAAH O00519 1/20 0.39
▸ TYRO3 Q06418 2/20 0.38
▸ SLC5A1 P13866 3/20 0.38
▸ DHFR P00374 1/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ DHODH Q02127 1/20 0.36
▸ DGAT2 Q96PD7 2/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36

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 SCHEMBL30062036 0.88 HDAC1 (0.43) HDAC1HDAC6FAAHTYRO3DHFR
Trifluoroacetic Acid SCHEMBL30230512 0.88 HDAC1 (0.43) HDAC1HDAC6FAAHTYRO3DHFR
Trifluoroacetic Acid SCHEMBL30474054 0.88 HDAC1 (0.52) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL22556931 0.85 FAAH (0.46) HDAC1HDAC6FAAH
SCHEMBL30060113 0.84 HDAC1 (0.45) HDAC1HDAC6FAAHTYRO3PIM1
SCHEMBL30060144 0.84 HDAC1 (0.45) HDAC1HDAC6FAAHTYRO3PIM1
SCHEMBL24073260 0.84 HDAC1 (0.55) HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL30474043 0.84 HDAC1 (0.38) HDAC1HDAC6FAAHTYRO3SLC5A1
Trifluoroacetic Acid SCHEMBL30474012 0.83 HDAC1 (0.37) HDAC1HDAC6FAAHSLC5A1PIM1
Trifluoroacetic Acid SCHEMBL30473991 0.83 HDAC1 (0.37) HDAC1HDAC6SLC5A1PIM1

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-4132925-A1 N-CYANOPYRROLIDINES WITH ACTIVITY AS USP30 INHIBITORS Mission Therapeutics Limited (GB) 2023-02-15 — — EP disclosed
CN-115461340-A N-cyanopyrrolidines having activity as USP30 inhibitors 特殊治疗有限公司 2022-12-09 — — CN disclosed
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