Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6619948

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CN1CCC2(CCN(CCC3CCNCC3)CC2)CC1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.43
ITGA2B P08514 8/20 0.43
ITGA2 P17301 1/20 0.37
KCNH2 Q12809 1/20 0.35
GNAO1 P09471 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 2/20 0.33
CHRM5 P08912 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
SCHEMBL6621587 0.95 ITGB3 (0.46) ITGB3ITGA2BGNAO1
SCHEMBL7150176 0.88 ITGB3 (0.46) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL6620403 0.82 FFAR4 (0.46) ITGB3ITGA2BFFAR4
SCHEMBL6616605 0.79 HTR1A (0.37) ITGB3ITGA2B
SCHEMBL8473840 0.76 ITGB3 (0.42) ITGB3ITGA2BGNAO1
SCHEMBL6619749 0.75 MEN1 (0.49) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL6897031 0.75 SIGMAR1 (0.44) CHRM3CHRM5
Trifluoroacetic Acid SCHEMBL4617756 0.75 SLC6A1 (0.41) ITGB3ITGA2BITGA2CHRM2CHRM1
SCHEMBL7285155 0.72 ITGB3 (0.55) ITGB3ITGA2BGNAO1
Trifluoroacetic Acid SCHEMBL31097576 0.71 CYP2D6 (0.42) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854869-B1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION LILLY CO ELI (US) 2004-08-25 EP disclosed
US-6693109-B2 SUCH AS ETHYL(3-(4-(AMINOIMINOMETHYL)PHENYL)-1-OXA-2,8-DIAZA-SPIRO(4.5)DEC-2-EN-8 -YL)ACETATE ELI LILLY AND COMPANY 2004-02-17 US disclosed
US-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2003-09-11 US disclosed
US-6528534-B2 Useful as glycoprotein IIb/IIIa antagonists for prophylaxis thrombosis, therapy of atheroschlerosis, arterioschlerosis, acute myocardial infarction, chronic stable angina, unstable angina, transient ischemic attacks and strokes MILLENNIUM PHARMACEUTICALS, INC. 2003-03-04 US disclosed
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2002-01-31 US disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 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-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP ITGB3 57/4885ITGA2B 44/4885ITGA2 69/4885
US-20020013325-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP ITGB3 57/4885ITGA2B 44/4885ITGA2 69/4885

“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.