Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3825503

NC(=O)Oc1cc(F)ccc1-c1ccsc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 2/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
CHEK2 O96017 3/20 0.36
TMIGD3 P0DMS9 2/20 0.36
ADORA2A P29274 2/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL3830484 0.92 TUBB4A (0.41) IDH2TUBB4ATUBBTUBA3CTUBA1B
Trifluoroacetic Acid SCHEMBL3824869 0.87 BTK (0.42) IDH2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3825362 0.82 BCL9 (0.41) IDH2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3825505 0.80 IDH2 (0.38) IDH2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3827375 0.76 TMIGD3 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20573246 0.76 FABP7 (0.42) BACE1FFAR4
SCHEMBL20573259 0.72 PARP1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Trifluoroacetic Acid SCHEMBL27660793 0.71 MGLL (0.36) FFAR4
SCHEMBL3829394 0.70 TMIGD3 (0.38) CHEK2TMIGD3ADORA2ABCL9CTNNB1
SCHEMBL3823848 0.69 CYP2A6 (0.44) IDH2TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765339-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-09-02 EP claimed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP claimed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO claimed
EP-1765339-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP disclosed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed