Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28322378 | 0.96 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL65539 | 0.96 | — | — | |
| Trifluoroacetic Acid SCHEMBL28078895 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL28342502 | 0.92 | CA4 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL28839753 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL28342501 | 0.89 | CA4 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL28078894 | 0.89 | — | — | |
| Trifluoroacetic Acid SCHEMBL28135098 | 0.89 | CA1 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL28688159 | 0.89 | CA4 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL4342494 | 0.88 | CA4 (0.38) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799677-A1 | OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS | Ranbaxy Laboratories Limited (IN) | 2007-06-27 | — | — | EP | claimed |
| WO-2006038100-A1 | OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS | RANBAXY LABORATORIES LIMITED (IN) | 2006-04-13 | — | — | WO | claimed |
| EP-2593445-B1 | CHEMICAL PROCESSES FOR THE MANUFACTURE OF SUBSTITUTED BENZOFURANS | BIONOMICS LTD (AU) | 2016-09-21 | — | — | EP | disclosed |
| US-8674119-B2 | Chemical processes for the manufacture of substituted benzofurans | BIONOMICS LIMITED (AU) | 2014-03-18 | — | — | US | disclosed |
| US-20130211102-A1 | CHEMICAL PROCESSES FOR THE MANUFACTURE OF SUBSTITUTED BENZOFURANS | BIONOMICS LIMITED (AU) | 2013-08-15 | — | — | US | disclosed |
| EP-2593445-A1 | CHEMICAL PROCESSES FOR THE MANUFACTURE OF SUBSTITUTED BENZOFURANS | Bionomics Limited (AU) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012006686-A1 | CHEMICAL PROCESSES FOR THE MANUFACTURE OF SUBSTITUTED BENZOFURANS | BIONOMICS LIMITED (AU) | 2012-01-19 | — | — | WO | disclosed |
| US-20100286211-A1 | OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS | RANBAXY LABORATORIES LIMITED (IN) | 2010-11-11 | — | — | US | disclosed |
| EP-1799677-A1 | OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS | Ranbaxy Laboratories Limited (IN) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006038100-A1 | OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS | RANBAXY LABORATORIES LIMITED (IN) | 2006-04-13 | — | — | WO | disclosed |