⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL593546 | 0.61 | KDM4E (0.32) | — | |
| SCHEMBL2546768 | 0.60 | FFAR3 (0.32) | — | |
| SCHEMBL10621926 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL3526636 | 0.57 | — | — | |
| SCHEMBL31473341 | 0.56 | — | — | |
| SCHEMBL5321376 | 0.56 | — | — | |
| SCHEMBL4623267 | 0.55 | — | — | |
| SCHEMBL11797342 | 0.54 | — | — | |
| Acetic Acid SCHEMBL11427221 | 0.52 | — | — | |
| SCHEMBL21950880 | 0.52 | FFAR3 (0.41) | — |
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-7345038-B2 | Pyridyloxymethyl and benzisoxazole azabicyclic derivatives | PFIZER, INC (US) | 2008-03-18 | — | — | US | disclosed |
| EP-1608648-A1 | PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES | Pfizer Products Inc. (US) | 2005-12-28 | — | — | EP | disclosed |
| US-20050026922-A1 | For treating CNS or other disorders, including concurrent treatment of disorders such as schizophrenia and depression; side effect reduction; for example, (7R,9aS)-trans-7-[6-(2,6-Dimethyl-piperidin-1-ylmethyl)-pyridin-2-yloxymethyl]-2-(5-fluoro-benzo[d]isoxazol-3-yl)-octahydro-pyrido[1,2-a]pyrazine | PFIZER INC | 2005-02-03 | — | — | US | disclosed |
| WO-2004081007-A1 | PYRIDYLOXYMETHYL AND BENZISOXAZOLE AZABICYCLIC DERIVATIVES | PFIZER PRODUCTS INC. (US) | 2004-09-23 | — | — | WO | disclosed |