Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25325870

FC(F)(F)C1CCCC(c2ccccc2)=N1.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.35
▸ PGR P06401 5/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33

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
SCHEMBL25323166 0.91 NOS1 (0.49) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL25323163 0.91 NOS1 (0.49) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL25323286 0.75 NOS3 (0.35) NOS3NOS1NOS2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8871069 0.71 CHRNB4 (0.41) CHRNB4CHRNA3PGRCYP1A2CYP2C19
Biphenyl SCHEMBL27461116 0.68 CES1 (0.54) CYP2C9SMN1; SMN2
Trifluoroacetic Acid SCHEMBL12611414 0.66 CES1 (0.52) CYP2C9SMN1; SMN2
Biphenyl SCHEMBL4861378 0.66 CES1 (0.52) CYP2C9SMN1; SMN2
SCHEMBL20835498 0.66 CHRNB4 (0.46) NOS3NOS1NOS2CHRNB4CHRNA3
Trifluoroacetic Acid SCHEMBL25319887 0.66 PGR (0.37) NOS3NOS1NOS2CHRNB4CHRNA3
SCHEMBL9542642 0.65 RAB9A (0.39) CHRNB4CHRNA3NPC1RAB9ASMN1; SMN2

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
WO-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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