Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7368235

N=C(N)N(Cl)c1cncc2cc(C(=O)N[C@@H](CO)C(=O)O)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.40
CA1 P00915 11/20 0.40
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
TMPRSS15 P98073 3/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PTPN1 P18031 1/20 0.34
PIN1 Q13526 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
Trifluoroacetic Acid SCHEMBL7377943 0.92 TMPRSS15 (0.44) CA2CA1ITGB3ITGA2BTMPRSS15
Trifluoroacetic Acid SCHEMBL7372438 0.91 GRN (0.45) CA2CA1ITGB3ITGA2BTMPRSS15
Trifluoroacetic Acid SCHEMBL7450905 0.91 CA2 (0.44) CA2CA1PTPN1
SCHEMBL7370207 0.86 CASP3 (0.46) CA2CA1ITGB3ITGA2BTMPRSS15
Trifluoroacetic Acid SCHEMBL7380314 0.86 CA2 (0.40) CA2CA1MRGPRX4
Trifluoroacetic Acid SCHEMBL7372144 0.83 CA1 (0.36) CA2CA1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7368775 0.83 ITGB3 (0.44) ITGB3ITGA2B
SCHEMBL6437334 0.78 ROCK2 (0.49)
Trifluoroacetic Acid SCHEMBL7368831 0.77 F2 (0.46) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7372457 0.77 MMP9 (0.45) CA2CA1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242120-A2 COMBINATIONS OF GROWTH FACTORS AND I:UPA OR I:MMP FOR THE TREATMENT OF DAMAGED TISSUE Pfizer Limited (GB) 2002-09-25 EP disclosed
WO-2001049309-A2 COMBINATIONS OF GROWTH FACTORS AND I: UPA OR I: MMP FOR THE TREATMENT OF DAMAGED TISSUE PFIZER LIMITED (GB) 2001-07-12 WO disclosed
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed