⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874347 | 0.82 | — | — | |
| SCHEMBL11115512 | 0.77 | — | — | |
| SCHEMBL27622218 | 0.77 | — | — | |
| SCHEMBL3680664 | 0.77 | — | — | |
| SCHEMBL29086344 | 0.72 | CYP1B1 (0.32) | — | |
| SCHEMBL7704422 | 0.72 | CYP1B1 (0.32) | — | |
| SCHEMBL1627810 | 0.70 | — | — | |
| Naphthalene SCHEMBL11513432 | 0.69 | MEN1 (0.40) | — | |
| SCHEMBL13168328 | 0.69 | — | — | |
| SCHEMBL245783 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8053598-B2 | Compounds, their preparation and use | HIGH POINT PHARMACEUTICALS, LLC (US) | 2011-11-08 | — | — | US | disclosed |
| EP-1745014-B1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | HIGH POINT PHARMACEUTICALS LLC (US) | 2011-07-06 | — | — | EP | disclosed |
| US-20090012171-A1 | Novel Compounds, Their Preparation and Use | NOVO NORDISK A/S (CZ) | 2009-01-08 | — | — | US | disclosed |
| EP-1745014-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005105736-A1 | NOVEL COMPOUNDS, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2005-11-10 | — | — | WO | disclosed |