Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3385533

NC1CCCN(c2c(Cl)cc(C(F)(F)F)cc2/C=C2\SC(=O)NC2=O)C1.O=C(O)C(F)(F)F

nearest known ligand 0.62

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 16/20 0.62
▸ PIM1 P11309 14/20 0.62
▸ PIM3 Q86V86 13/20 0.62
▸ STK17B O94768 2/20 0.53
▸ BCL2 P10415 2/20 0.53
▸ CSNK2A2 P19784 2/20 0.53
▸ CDK7 P50613 2/20 0.53
▸ DAPK1 P53355 2/20 0.53
▸ CAMK4 Q16566 2/20 0.53
▸ MAPK15 Q8TD08 2/20 0.53
▸ PNPLA2 Q96AD5 2/20 0.53
▸ HIPK3 Q9H422 2/20 0.53
▸ KCNH2 Q12809 1/20 0.47
▸ HPGD P15428 3/20 0.38
▸ PTPN1 P18031 1/20 0.38

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 SCHEMBL1580451 1.00 PIM2 (0.62) PIM2PIM1PIM3STK17BBCL2
Trifluoroacetic Acid SCHEMBL1580447 1.00 PIM2 (0.62) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1580435 0.95 PIM2 (0.68) PIM2PIM1PIM3STK17BBCL2
SCHEMBL12281916 0.95 PIM2 (0.68) PIM2PIM1PIM3STK17BBCL2
SCHEMBL2425076 0.95 PIM2 (0.68) PIM2PIM1PIM3STK17BBCL2
SCHEMBL12282168 0.95 PIM2 (0.68) PIM2PIM1PIM3STK17BBCL2
SCHEMBL2425080 0.95 PIM2 (0.68) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1580433 0.95 PIM2 (0.68) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1580455 0.89 PIM2 (0.67) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1580457 0.89 PIM2 (0.67) PIM2PIM1PIM3STK17BBCL2

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-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
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