Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL737095

COc1ccc2c(c1)C(=O)OC21CCN(c2ccc(OCCCN3CCCCC3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.55
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 4/20 0.45
CACNA1B Q00975 2/20 0.44
AVPR1A P37288 1/20 0.44
ESR1 P03372 2/20 0.44
PAX8 Q06710 1/20 0.43
HRH1 P35367 1/20 0.42

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 SCHEMBL737476 0.94 HRH3 (0.55) HRH3POLBMAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL737064 0.91 HRH3 (0.46) HRH3KCNH2CACNA1BHRH1
Trifluoroacetic Acid SCHEMBL735212 0.86 HRH3 (0.51) HRH3POLBMAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL736529 0.84 HRH3 (0.45) HRH3KDM4EALDH1A1KCNH2CACNA1B
Trifluoroacetic Acid SCHEMBL736416 0.83 HRH3 (0.47) HRH3POLBMAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL737620 0.81 HRH3 (0.44) HRH3POLBMAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL735794 0.81 ALDH1A1 (0.56) HRH3POLBMAPTKDM4EALDH1A1
SCHEMBL736407 0.81 HRH3 (0.58) HRH3MAPTALDH1A1KCNH2HRH1
Trifluoroacetic Acid SCHEMBL737443 0.80 HRH3 (0.60) HRH3POLBMAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL736467 0.79 CACNA1B (0.49) HRH3POLBMAPTKDM4EALDH1A1

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US claimed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US claimed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP claimed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885POLB 3782/4885MAPT 4377/4885

“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.