Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL735635

O=C(O)C(F)(F)F.c1ccc(C2(c3ccccc3)CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.57
KCNH2 Q12809 4/20 0.57
CACNA1B Q00975 2/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HRH1 P35367 3/20 0.50
HRH4 Q9H3N8 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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 SCHEMBL736519 0.90 HRH3 (0.55) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL738424 0.88 HRH3 (0.52) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL738381 0.84 HRH3 (0.61) HRH3KCNH2ALDH1A1HRH1
Trifluoroacetic Acid SCHEMBL736504 0.84 HRH3 (0.51) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2
SCHEMBL738421 0.84 HRH3 (0.70) HRH3KCNH2KDM4ESMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL735794 0.84 ALDH1A1 (0.56) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL737443 0.83 HRH3 (0.60) HRH3KCNH2CACNA1BKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL737995 0.82 SMN1; SMN2 (0.51) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL736467 0.82 CACNA1B (0.49) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2
Trifluoroacetic Acid SCHEMBL737065 0.82 CACNA1B (0.53) HRH3KCNH2CACNA1BKDM4ESMN1; SMN2

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 2/4885KCNH2 308/4885CACNA1B 615/4885

“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.