Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9902969

COC(=O)O[C@H]1C[C@@H](N)CN1c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2.O=C(O)C(F)(F)F

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLC2A1 P11166 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
Trifluoroacetic Acid SCHEMBL589692 0.89 SMN1; SMN2 (0.33) MAPTSMN1; SMN2SLC2A1
Trifluoroacetic Acid SCHEMBL2672126 0.86 C1S (0.32) —
SCHEMBL4071829 0.83 MAPT (0.35) MAPTSMN1; SMN2
SCHEMBL5273648 0.80 MAPT (0.32) MAPT
SCHEMBL5272610 0.79 MAPT (0.32) MAPTSMN1; SMN2
SCHEMBL9903003 0.78 CNR1 (0.34) —
Trifluoroacetic Acid SCHEMBL589362 0.77 FFAR1 (0.34) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL589361 0.77 FFAR1 (0.34) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL589653 0.77 FFAR1 (0.34) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL589654 0.77 FFAR1 (0.34) SMN1; SMN2

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
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP disclosed
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