Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3145706

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CCc1ccc(F)cc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
SIGMAR1 Q99720 4/20 0.42
ABCB11 O95342 2/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CCR1 P32246 1/20 0.40
PRCP P42785 1/20 0.40
CCR3 P51677 1/20 0.40
MCHR1 Q99705 1/20 0.40

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
SCHEMBL3150391 0.97 BCHE (0.45) BCHEACHEBACE1SIGMAR1ABCB11
Trifluoroacetic Acid SCHEMBL3137027 0.91 MEN1 (0.47) BCHEACHEBACE1SIGMAR1ABCB11
Trifluoroacetic Acid SCHEMBL3144395 0.87 ABCB11 (0.57) BCHEACHEBACE1SIGMAR1ABCB11
SCHEMBL3153887 0.87 MEN1 (0.50) BCHEACHEBACE1SIGMAR1ABCB11
Trifluoroacetic Acid SCHEMBL3141977 0.86 ABCB11 (0.59) BCHEACHEBACE1SIGMAR1ABCB11
Trifluoroacetic Acid SCHEMBL3149896 0.84 MEN1 (0.52) BCHEACHESIGMAR1MAOBMEN1
SCHEMBL3145066 0.84 ABCB11 (0.62) BCHEACHEBACE1SIGMAR1ABCB11
SCHEMBL3048644 0.83 ABCB11 (0.60) BCHEACHEBACE1SIGMAR1ABCB11
SCHEMBL3048648 0.83 ABCB11 (0.60) BCHEACHEBACE1SIGMAR1ABCB11
Trifluoroacetic Acid SCHEMBL3150246 0.83 SIGMAR1 (0.45) BCHEACHEBACE1SIGMAR1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO 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 (1 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 MGLL 4707/4885BCHE 959/4885ACHE 3964/4885

“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.