Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 SCHEMBL311569 | 0.96 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL11674761 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL28576102 | 0.92 | CA4 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL225730 | 0.92 | CA4 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL5816346 | 0.92 | — | — | |
| Trifluoroacetic Acid SCHEMBL27442777 | 0.92 | CA4 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL8066424 | 0.89 | CA4 (0.41) | — | |
| Trifluoroacetic Acid SCHEMBL27900785 | 0.89 | CA4 (0.35) | — | |
| Trifluoroacetic Acid SCHEMBL28078894 | 0.89 | — | — | |
| Trifluoroacetic Acid SCHEMBL108536 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0787115-B1 | PROCESS FOR PRODUCING DERIVATIVES OF 4a,5,9,10,11,12,-HEXAHYDRO-6H-BENZOFURO[3a,3,2-ef][2]BENZAZEPINE | SANOCHEMIA PHARMAZEUTIKA AG (AT) | 2000-01-05 | — | — | EP | claimed |