⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3293065 | 0.81 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4234297 | 0.76 | IDO1 (0.46) | — | |
| SCHEMBL15066490 | 0.75 | ADRB2 (0.38) | — | |
| SCHEMBL3428434 | 0.74 | ADRB2 (0.40) | — | |
| SCHEMBL3428431 | 0.74 | ADRB2 (0.40) | — | |
| SCHEMBL7513104 | 0.74 | IDO1 (0.41) | — | |
| SCHEMBL3292489 | 0.73 | PKM (0.32) | — | |
| SCHEMBL3290830 | 0.73 | NQO1 (0.30) | — | |
| SCHEMBL3404996 | 0.72 | MTNR1A (0.45) | — | |
| SCHEMBL29235808 | 0.72 | FOLH1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7728155-B2 | Dihydrobenzofuranyl alkanamines and methods for using same as cns agents | WYETH LLC (US) | 2010-06-01 | — | — | US | disclosed |
| EP-1675842-A1 | DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Wyeth (US) | 2006-07-05 | — | — | EP | disclosed |
| US-20050124692-A1 | Dihydrobenzofuranyl alkanamines and methods for using same as cns agents | WYETH (US) | 2005-06-09 | — | — | US | disclosed |
| WO-2005040146-A1 | DIHYDROBENZOFURANYL ALKANAMINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | WYETH (US) | 2005-05-06 | — | — | WO | disclosed |