Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28432286

O=C(O)C(F)(F)F.O=C(O)c1cccc(C#Cc2ccncc2)c1-c1cc(O)cc(Cl)c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ BRAF P15056 7/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ AKR1C1 Q04828 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ FTO Q9C0B1 2/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HAO1 Q9UJM8 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL16719782 0.94 PTGDR2 (0.41) PTGDR2BRAFAKR1C2AKR1C1FTO
Trifluoroacetic Acid SCHEMBL28436261 0.90 DHODH (0.34) PTGDR2L3MBTL1PDE10AFFAR1NPC1
SCHEMBL28432284 0.85 BRAF (0.36) PTGDR2BRAF
SCHEMBL16720180 0.84 DHODH (0.37) PTGDR2AKR1C2AKR1C1FFAR1NPC1
Trifluoroacetic Acid SCHEMBL28439757 0.83 PDE10A (0.36) L3MBTL1PDE10AFFAR1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL16720276 0.82 NPC1 (0.43) PTGS1PTGS2AKR1C2AKR1C1L3MBTL1
Trifluoroacetic Acid SCHEMBL28437063 0.82 DHODH (0.37) PTGDR2FFAR1HAO1
SCHEMBL18109265 0.80 PTGDR2 (0.36) PTGDR2BRAFAKR1C2AKR1C1NPC1
SCHEMBL16719381 0.79 HAO1 (0.36) PTGDR2HAO1
SCHEMBL16720455 0.77 NPC1 (0.45) PTGDR2L3MBTL1FTOFFAR1NPC1

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-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 — — CN disclosed
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