⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11431900 | 0.83 | — | — | |
| SCHEMBL64089 | 0.76 | MAPT (0.35) | — | |
| SCHEMBL18263940 | 0.75 | GALR3 (0.31) | — | |
| SCHEMBL13909523 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL3405378 | 0.69 | — | — | |
| SCHEMBL22375160 | 0.68 | GAA (0.46) | — | |
| SCHEMBL11432283 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL5310322 | 0.67 | LMNA (0.37) | — | |
| SCHEMBL5310538 | 0.63 | MAPT (0.40) | — | |
| SCHEMBL5308123 | 0.62 | GALR3 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534239-A2 | PREPARATION OF SUBMICRON SIZED PARTICLES WITH POLYMORPH CONTROL AND NEW POLYMORPH OF ITRACONAZOLE | BAXTER INTERNATIONAL INC. (US) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004054500-A2 | PREPARATION OF SUBMICRON SIZED PARTICLES WITH POLYMORPH CONTROL AND NEW POLYMORPH OF ITRACONAZOLE | BAXTER INTERNATIONAL INC. (US) | 2004-07-01 | — | — | WO | disclosed |
| US-20030096013-A1 | Preparation of submicron sized particles with polymorph control | BAXTER INTERNATIONAL INC. | 2003-05-22 | — | — | US | disclosed |