Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4733563

C=CCn1cc(C(=O)O)nc1C.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PPARG P37231 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL4734703 0.91 BRD4 (0.38) BRD4KMT2ARXFP1ALDH1A1PPARG
SCHEMBL4733561 0.81 KMT2A (0.35) LMNAKMT2AALDH1A1KDM4EGAA
Trifluoroacetic Acid SCHEMBL4737130 0.77 NOTUM (0.37)
Trifluoroacetic Acid SCHEMBL4737901 0.77 BRD4 (0.51) BRD4GAATSHR
SCHEMBL7716549 0.74 BRD4 (0.36) BRD4KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL13735175 0.70 RXFP1 (0.36) BRD4LMNAKMT2ARXFP1KDM4E
Trifluoroacetic Acid SCHEMBL3583791 0.69 KDM4E (0.39) LMNARXFP1ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL16700571 0.68 ALDH1A1 (0.44) BRD4LMNAKMT2ARXFP1ALDH1A1
SCHEMBL13732305 0.67 PKM (0.36) BRD4LMNARXFP1KDM4ESMN1; SMN2
SCHEMBL13736015 0.67 PKM (0.36) BRD4LMNARXFP1KDM4ESMN1; 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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed