Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6833540

CN1CCCCC1COc1cncc(C=Cc2ccncc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.77
CHRNA3 P32297 7/20 0.77
CHRNB3 Q05901 6/20 0.77
CHRNB4 P30926 6/20 0.77
CHRNB1 P11230 5/20 0.77
CHRNA4 P43681 2/20 0.59
CHRNA6 Q15825 1/20 0.59

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
SCHEMBL6583359 0.87 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
SCHEMBL6583361 0.87 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6585314 0.86 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6585317 0.86 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
SCHEMBL6583520 0.83 CHRNB2 (0.87) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7674161 0.82 CHRNB2 (0.85) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
SCHEMBL6583448 0.81 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
SCHEMBL6583713 0.81 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
SCHEMBL6588752 0.81 CHRNB2 (1.00) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL6584652 0.80 CHRNB2 (0.98) CHRNB2CHRNA3CHRNB3CHRNB4CHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US claimed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP claimed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US claimed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US claimed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO claimed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHRNB2 4672/4885CHRNA3 4788/4885CHRNB3 4671/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CHRNB2 4672/4885CHRNA3 4788/4885CHRNB3 4671/4885

“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.