⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4092607 | 0.89 | — | — | |
| SCHEMBL4093754 | 0.85 | — | — | |
| SCHEMBL4065310 | 0.84 | — | — | |
| SCHEMBL236633 | 0.84 | — | — | |
| SCHEMBL31527311 | 0.84 | — | — | |
| SCHEMBL21591048 | 0.84 | — | — | |
| SCHEMBL4106945 | 0.81 | — | — | |
| SCHEMBL2980496 | 0.81 | CYP1A2 (0.50) | — | |
| SCHEMBL13740421 | 0.81 | — | — | |
| SCHEMBL13662773 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090203763-A1 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| US-20090203763-A1 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS, INC. (US) | 2009-08-13 | — | — | US | disclosed |
| WO-2009094457-A2 | SUBSTITUTED BENZHYDRYLETHERS | AUSPEX PHARMACEUTICALS (US) | 2009-07-30 | — | — | WO | disclosed |