Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6951253

Cc1cccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.88
MAPK11 Q15759 2/20 0.88
BRD4 O60885 2/20 0.88
BRDT Q58F21 2/20 0.69

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
SCHEMBL6948107 0.94 MAPK14 (1.00) MAPK14MAPK11BRD4BRDT
Trifluoroacetic Acid SCHEMBL6948788 0.90 MAPK14 (0.87) MAPK14MAPK11BRD4BRDT
Trifluoroacetic Acid SCHEMBL6948135 0.87 MAPK14 (0.87) MAPK14BRD4BRDT
SCHEMBL6950475 0.87 MAPK14 (1.00) MAPK14MAPK11BRD4BRDT
Trifluoroacetic Acid SCHEMBL6950915 0.87 MAPK14 (0.86) MAPK14BRD4BRDT
SCHEMBL6946413 0.85 MAPK14 (1.00) MAPK14MAPK11BRD4BRDT
SCHEMBL6955254 0.84 MAPK14 (0.81) MAPK14MAPK11BRD4BRDT
SCHEMBL6955621 0.83 MAPK14 (0.76) MAPK14MAPK11BRD4BRDT
Trifluoroacetic Acid SCHEMBL6949190 0.83 MAPK14 (0.93) MAPK14BRD4BRDT
SCHEMBL6943872 0.82 MAPK14 (1.00) MAPK14MAPK11BRD4BRDT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0996446-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-09-17 EP disclosed
US-6562832-B1 Cytokine suppressive anti-inflammatory drugs, capable of inhibiting the CSBP/p38/RK kinase SMITHKLINE BEECHAM CORPORATION 2003-05-13 US disclosed
US-6046208-A TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, ENDOTOXEMIA AND/OR TOXIC SHOCK SYNDROME, OTHER ACUTE OR CHRONIC INFLAMMATORY DISEASE STATES SUCH AS THE INFLAMMATORY REACTION INDUCED BY ENDOTOXIN OR INFLAMMATORY BOWEL DISEASE SMITHKLINE BEECHAM CORPORATION (US) 2000-04-04 US disclosed