Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6422430

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)CC(CCCCCCc1ccc2c(n1)NCCC2)c1ccc(=O)[nH]c1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.69
ITGB6 P18564 12/20 0.69
ITGB8 P26012 12/20 0.69
ITGB3 P05106 9/20 0.66
ITGB5 P18084 1/20 0.56

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 SCHEMBL6421286 0.86 ITGAV (0.90) ITGAVITGB6ITGB8ITGB3
Trifluoroacetic Acid SCHEMBL6422659 0.86 ITGAV (0.90) ITGAVITGB6ITGB8ITGB3
Trifluoroacetic Acid SCHEMBL6422214 0.86 ITGAV (0.90) ITGAVITGB6ITGB8ITGB3
SCHEMBL6422564 0.82 ITGAV (0.81) ITGAVITGB6ITGB8ITGB3ITGB5
Hydrochloric Acid SCHEMBL6422441 0.81 ITGAV (0.80) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL20877622 0.81 ITGAV (1.00) ITGAVITGB6ITGB8ITGB3
SCHEMBL15942169 0.81 ITGAV (1.00) ITGAVITGB6ITGB8ITGB3
SCHEMBL18029430 0.81 ITGAV (0.83) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL18029429 0.81 ITGAV (0.83) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL18029432 0.80 ITGAV (1.00) ITGAVITGB6ITGB8ITGB3ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP claimed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US claimed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP claimed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US claimed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 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 (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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 ITGAV 1/4885ITGB6 9/4885ITGB8 21/4885

“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.