⚠ 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 SCHEMBL5210666 | 0.87 | OPRM1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL5212701 | 0.86 | LOXL2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL5209569 | 0.83 | F2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL5629214 | 0.79 | F2 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL5626916 | 0.77 | HDAC11 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL5627045 | 0.76 | FOLH1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL5626942 | 0.75 | FOLH1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL5631027 | 0.75 | F11 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL5628829 | 0.73 | GAA (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL5208897 | 0.72 | F2 (0.37) | — |
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-1343561-B1 | SERINE PROTEASE INHIBITORS | TULARIK LTD (GB) | 2007-02-28 | — | — | EP | disclosed |