⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL930057 | 0.77 | — | — | |
| SCHEMBL2327848 | 0.71 | GBA2 (0.31) | — | |
| SCHEMBL2230207 | 0.69 | — | — | |
| SCHEMBL2230812 | 0.65 | — | — | |
| SCHEMBL2059958 | 0.65 | — | — | |
| SCHEMBL1069824 | 0.65 | — | — | |
| SCHEMBL3302565 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL10805737 | 0.64 | — | — | |
| SCHEMBL11405636 | 0.63 | — | — | |
| SCHEMBL7796130 | 0.63 | — | — |
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-1467996-A1 | PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-20 | — | — | EP | disclosed |
| WO-2003055883-A1 | PYRIMIDOTRIAZINES AS PHOSPHATASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-07-10 | — | — | WO | disclosed |