Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3606356

NCCCC1([N+](=O)[O-])C=CC(N)=NC1N.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31

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 SCHEMBL3597809 0.93
Hydrochloric Acid SCHEMBL2935261 0.88
SCHEMBL2932888 0.81
Trifluoroacetic Acid SCHEMBL3149196 0.58 ODC1 (0.48) HRH4HRH3CA12CA1CA2
Trifluoroacetic Acid SCHEMBL10619767 0.58 ODC1 (0.48) HRH4HRH3CA12CA1CA2
Trifluoroacetic Acid SCHEMBL6490887 0.58 HRH4 (0.50) HRH4HRH3CA12CA1CA2
Trifluoroacetic Acid SCHEMBL1771941 0.58 ODC1 (0.43) HRH4HRH3CA12CA1CA2
Trifluoroacetic Acid SCHEMBL29174408 0.58 MAPT (0.48)
Trifluoroacetic Acid SCHEMBL30761605 0.57 HRH4 (0.37) HRH4HRH3CA12CA1CA2
Diaminooctane SCHEMBL31657050 0.57 MEN1 (0.52) HRH4HRH3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051323-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-09 US disclosed
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-8273752-B2 Substituted imidazopyrimidines and triazolopyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-25 US disclosed
US-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-06 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-20100113441-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES TYMP, DPYD, THPO HRH4 308/4885HRH3 960/4885CA12 4760/4885
US-20130040946-A1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES THPO, TYMP, TPMT HRH4 428/4885HRH3 867/4885CA12 4806/4885

“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.