Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1794473

O=C(O)C(F)(F)F.O=c1c2ccccc2oc2ccc(O[C@H]3CN4CCC3CC4)cc12

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 4/20 0.55
ACSL6 Q9UKU0 3/20 0.55
ACSL3 O95573 1/20 0.55
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CHRNA7 P36544 1/20 0.43
KCNH2 Q12809 1/20 0.43

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 SCHEMBL1796405 1.00 ACSL1 (0.55) ACSL1ACSL6ACSL3NPC1POLB
SCHEMBL1794239 0.91 ACSL1 (0.56) ACSL1ACSL6ACSL3NPC1POLB
SCHEMBL1794127 0.91 ACSL1 (0.56) ACSL1ACSL6ACSL3NPC1POLB
SCHEMBL1794125 0.91 ACSL1 (0.56) ACSL1ACSL6ACSL3NPC1POLB
SCHEMBL905368 0.82 LSS (0.44) ACSL1ACSL6ACSL3NPC1CHRNA7
Fumaric Acid SCHEMBL905389 0.82 ACSL1 (0.46) ACSL1ACSL6ACSL3CHRNA7
SCHEMBL8714467 0.73 CHRNA7 (0.48) MAOAMAOBHRH3CHRNA7KCNH2
Trifluoroacetic Acid SCHEMBL1792985 0.73 CHRNA7 (0.81) ACSL1ACSL6ACSL3NPC1POLB
Trifluoroacetic Acid SCHEMBL1796865 0.73 CHRNA7 (0.61) ACSL1ACSL6ACSL3NPC1RAB9A
Hydrochloric Acid SCHEMBL8718227 0.72 CHRNA7 (0.47) MAOAMAOBHRH3CHRNA7KCNH2

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
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 ACSL1 3873/4885ACSL6 4006/4885ACSL3 4036/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 ACSL1 3594/4885ACSL6 3814/4885ACSL3 3958/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 ACSL1 3492/4885ACSL6 3637/4885ACSL3 3994/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.