⚠ 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 SCHEMBL21816618 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL6323631 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL21904726 | 0.88 | ALDH1A1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL6494188 | 0.88 | ALDH1A1 (0.40) | — | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.88 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.88 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.88 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL30463412 | 0.86 | ALDH1A1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1968969-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007071396-A2 | PYRAZINOYLGUANIDINE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS | NOVARTIS AG (CH) | 2007-06-28 | — | — | WO | disclosed |