Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1122029

O=C(O)C(F)(F)F.OCC(O)COC(CO)CS

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
OR51E2 Q9H255 1/20 0.34

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
SCHEMBL532450 0.85 LMNA (0.48) LMNA
SCHEMBL918799 0.77 LMNA (0.48) LMNA
SCHEMBL882914 0.72 LMNA (0.44) LMNA
Trifluoroacetic Acid SCHEMBL6515639 0.72 LMNA (0.53) LMNAOR51E2
SCHEMBL7277164 0.72 LMNA (0.42) LMNA
Trifluoroacetic Acid SCHEMBL29117404 0.72 LMNA (0.41) LMNAOR51E2
Trifluoroacetic Acid SCHEMBL13730794 0.71 OR51E2 (0.70) OR51E2
SCHEMBL4671980 0.71 LMNA (0.36) LMNAOR51E2
Trifluoroacetic Acid SCHEMBL30364185 0.69 CYP1A2 (0.39) LMNA
SCHEMBL15360401 0.69 OR51E2 (0.33) LMNAOR51E2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575955-B1 PYRROLOBENZODIAZEPINES FOR THE TREATMENT OF PROLIFERATIVE DISEASES SPIROGEN LTD (GB) 2011-02-09 EP disclosed
US-7704924-B2 Library of compounds comprising pyrrolobenzodiazepine moieties SPIROGEN LIMITED (GB) 2010-04-27 US disclosed
US-7407951-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2008-08-05 US disclosed
EP-1107969-B1 COLLECTIONS OF COMPOUNDS SPIROGEN LTD (GB) 2008-01-16 EP disclosed
US-7265105-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2007-09-04 US disclosed
US-20060148788-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-07-06 US disclosed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 US disclosed
US-20060128693-A1 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2006-06-15 US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 US disclosed
EP-1413582-B1 Dimeric pyrrolobenzodiazepines SPIROGEN LTD (GB) 2006-03-15 EP disclosed
EP-1109812-A2 PYRROLOBENZODIAZEPINES Spirogen Limited (GB) 2001-06-27 EP disclosed
EP-1107970-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 EP disclosed
EP-1107969-A2 COLLECTIONS OF COMPOUNDS Spirogen Limited (GB) 2001-06-20 EP disclosed
WO-2000012508-A2 PYRROLBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012506-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012509-A2 COLLECTIONS OF COMPOUNDS SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012507-A2 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2000-03-09 WO disclosed
EP-0344234-A1 ANTIBIOTIC COMPOUNDS BEECHAM GROUP PLC (GB) 1989-12-06 EP disclosed
EP-0309161-A2 Antibiotic compounds BEECHAM GROUP PLC (GB) 1989-03-29 EP disclosed
WO-1989002441-A1 ANTIBIOTIC COMPOUNDS BEECHAM GROUP PLC (GB) 1989-03-23 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-20060148788-A1 Pyrrolobenzodiazepines HCRTR2, MCHR2, CHRM5 LMNA 2882/4885OR51E2 1538/4885
US-20060128693-A1 Pyrrolobenzodiazepines CYP2C19, CYP3A7, CYP2E1 LMNA 2314/4885OR51E2 3364/4885

“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.