Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4319760

O=C(NCC1(CO)CCCCC1)c1nc(-c2ccc(F)cc2)n2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.57
▸ CNR1 P21554 2/20 0.57
▸ HTR4 Q13639 7/20 0.39
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35

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 SCHEMBL4334962 0.99 CNR2 (0.58) CNR2CNR1HTR4POLBHPGD
Trifluoroacetic Acid SCHEMBL4321896 0.97 CNR2 (0.56) CNR2CNR1HTR4POLBHPGD
SCHEMBL13578103 0.95 CNR2 (0.61) CNR2CNR1HTR4
SCHEMBL13578104 0.94 CNR2 (0.62) CNR2CNR1HTR4
SCHEMBL13578101 0.93 CNR2 (0.60) CNR2CNR1HTR4
Trifluoroacetic Acid SCHEMBL4335735 0.85 CNR2 (0.52) CNR2CNR1HTR4HPGD
Trifluoroacetic Acid SCHEMBL4327621 0.82 CNR2 (0.42) CNR2CNR1HTR4POLBHPGD
SCHEMBL4318715 0.81 CNR2 (0.57) CNR2CNR1HTR4L3MBTL1
Trifluoroacetic Acid SCHEMBL4327097 0.80 CNR2 (0.88) CNR2CNR1HTR4L3MBTL1CYP3A4
SCHEMBL4323470 0.80 CNR2 (0.58) CNR2CNR1HTR4L3MBTL1

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
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 — — 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 (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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR2 1/4885CNR1 2/4885HTR4 254/4885

“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.

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