Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16635695

Fc1cc(F)c2c(c1)CCC2C1CCCN1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 14/20 0.39
ADRA1A P35348 2/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL16635480 0.89 ADRA1A (0.40) ADRA1A
SCHEMBL16635692 0.68 HSD11B1 (0.32)
SCHEMBL16636006 0.67 SRD5A1 (0.47) ADRA1A
Trifluoroacetic Acid SCHEMBL16766253 0.66 KDM1A (0.36) KDM1A
SCHEMBL1875287 0.65 ADRA1A (0.49) ADRA1A
SCHEMBL1875289 0.65 ADRA1A (0.49) ADRA1A
SCHEMBL15139399 0.65 ADRA1A (0.49) ADRA1A
SCHEMBL16635837 0.65 ADRA1A (0.40) ADRA1A
SCHEMBL9963996 0.65 ADRA1A (0.49) ADRA1A
SCHEMBL1874596 0.65 ADRA1A (0.49) ADRA1A

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-10626109-B2 N-hetaryl(thio)carbonyl-2-(benzocycloalken-1-yl)cyclamines and their use as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-21 US disclosed
EP-3055296-B1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-11-28 EP disclosed
US-20160244433-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-25 US disclosed
EP-3055296-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1 -YL)CYCLAMINES AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-08-17 EP disclosed
WO-2015052160-A9 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1 -YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-09-17 WO disclosed
WO-2015052160-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1 -YL)CYCLAMINES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2015-04-16 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 (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-10626109-B2 N-hetaryl(thio)carbonyl-2-(benzocycloalken-1-yl)cyclamines and their use as fungicides CBR1, CBR3, CYP4Z1 KDM1A 1518/4885ADRA1A 2449/4885TNKS 1994/4885
US-20160244433-A1 N-HETARYL(THIO)CARBONYL-2-(BENZOCYCLOALKEN-1-YL)CYCLAMINES AND THEIR USE AS FUNGICIDES CBR1, CBR3, CYP4Z1 KDM1A 1518/4885ADRA1A 2449/4885TNKS 1994/4885

“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.