Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5633804

O=C(O)C(F)(F)F.c1cc(N2CCNCC2)cnn1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
ADRB1 P08588 2/20 0.41
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL194631 0.84 PLD1 (0.62) ADRB2NCF1PLD1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL20424251 0.83 PLD1 (0.60) ADRB2NCF1PLD1ALDH1A1CHRNB2
Phenylpiperazine SCHEMBL3979040 0.79 HTR3E (0.69) ALDH1A1USP2TSHRHSD17B10ADRB1
Trifluoroacetic Acid SCHEMBL2119111 0.78 CHRNB2 (0.49) HRH4HRH3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL5583357 0.76 MAOB (0.58) ALDH1A1USP2TSHRHSD17B10ADRB1
Trifluoroacetic Acid SCHEMBL23491294 0.75 PKM (0.43) HRH4ADRB2NCF1PLD1HRH3
Trifluoroacetic Acid SCHEMBL30484802 0.75 KDM4E (0.43) HRH4HRH3ALDH1A1USP2TSHR
Trifluoroacetic Acid SCHEMBL26093287 0.75 CHRNB2 (0.68) HRH4HRH3CHRNB2CHRNA4ADRB1
Trifluoroacetic Acid SCHEMBL2119394 0.75 CHRNB2 (0.46) HRH4ALDH1A1USP2TSHRHSD17B10
Trifluoroacetic Acid SCHEMBL2119009 0.75 CHRNB2 (0.68) HRH4HRH3CHRNB2CHRNA4ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173025-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2007-02-06 US disclosed
EP-0880502-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ASTRAZENECA AB (SE) 2004-09-01 EP disclosed
US-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2003-11-06 US disclosed
EP-0880502-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028129-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-08-07 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 (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-20030207882-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents F2, SERPINC1, F11 HRH4 398/4885ADRB2 664/4885NCF1 985/4885

“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.