Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7102846

Cc1cc(C(=O)O)cc(C)c1OC(=O)c1c2ccccc2[n+](C)c2cc(CN)ccc12.O=C([O-])C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
HTR2C P28335 1/20 0.32
F10 P00742 3/20 0.32
KLK1 P06870 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
Trifluoroacetic Acid SCHEMBL7193167 0.89 ACHE (0.34) ACHE
Trifluoroacetic Acid SCHEMBL7099563 0.86 ACHE (0.36) ACHEHTR2CF10ALDH1A1
Trifluoroacetic Acid SCHEMBL8438517 0.85 ACHE (0.35) ACHEALDH1A1
SCHEMBL12907529 0.82 TTR (0.38) ACHEALDH1A1POLB
Bromide SCHEMBL8908965 0.81 TTR (0.37) ACHEALDH1A1POLB
SCHEMBL8046796 0.78 KMT2A (0.44) ALDH1A1
Trifluoroacetic Acid SCHEMBL4803136 0.78 LMNA (0.37) ACHEF10ALDH1A1
Bromide SCHEMBL7103303 0.77 KMT2A (0.43) ALDH1A1
Trifluoroacetic Acid SCHEMBL7100162 0.77 F10 (0.33) ACHEF10ALDH1A1
SCHEMBL13979965 0.77 LMNA (0.34) ALDH1A1POLB

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-0988551-B1 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER AG (US) 2003-09-10 EP disclosed
US-6165800-A Chemiluminescent energy transfer conjugates and their uses as labels in binding assays BAYER CORPORATION (US) 2000-12-26 US disclosed
EP-0988551-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS Bayer Corporation (US) 2000-03-29 EP disclosed
WO-1998054574-A2 CHEMILUMINESCENT ENERGY TRANSFER CONJUGATES AND THEIR USES AS LABELS IN BINDING ASSAYS BAYER CORPORATION (US) 1998-12-03 WO disclosed