Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 SCHEMBL551138 | 0.96 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL2381055 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL6912539 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL4342494 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL204190 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL108536 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL20541013 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL20571141 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL20569660 | 0.88 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL20569310 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0420116-B1 | Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis | MERRELL PHARMA INC (US) | 1997-07-30 | — | — | EP | disclosed |
| EP-0468457-B1 | Novel substituted piperidines and their use as inhibitors of cholesterol synthesis | MERRELL DOW PHARMA (US) | 1996-03-06 | — | — | EP | disclosed |
| US-5217979-A | Substituted alkyl piperidines | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-08 | — | — | US | disclosed |
| EP-0468457-A1 | Novel substituted piperidines and their use as inhibitors of cholesterol synthesis | MERRELL PHARMACEUTICALS INC. (US) | 1992-01-29 | — | — | EP | disclosed |
| EP-0420116-A2 | Novel substituted alkyl piperidines and their use as inhibitors of cholesterol synthesis | MERRELL PHARMACEUTICALS INC. (US) | 1991-04-03 | — | — | EP | disclosed |