⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1022055 | 0.91 | — | — | |
| SCHEMBL209980 | 0.89 | — | — | |
| SCHEMBL5641486 | 0.87 | — | — | |
| SCHEMBL9143007 | 0.85 | — | — | |
| SCHEMBL23346129 | 0.82 | — | — | |
| SCHEMBL12967506 | 0.77 | — | — | |
| SCHEMBL9546334 | 0.76 | — | — | |
| SCHEMBL9246749 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL4943400 | 0.70 | — | — | |
| SCHEMBL843801 | 0.67 | L3MBTL3 (0.34) | — |
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-6004956-A | CHEMICAL INTERMEDIATES FOR BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |
| EP-0551653-B1 | Enantiomeric pure cis-2-oxa-5,8-diazabicyclo (4.3.0)nonanes and process for their preparation | BAYER AG (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5532364-A | FROM A DIHYDROPYRIDINE DERIVATIVE | BAYER AKTIENGESELLSCHAFT (DE) | 1996-07-02 | — | — | US | disclosed |
| US-5436334-A | Enantiomerically pure 2-oxa-5,8-diazabicyclo[4.3.0]nonanes and process for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1995-07-25 | — | — | US | disclosed |
| EP-0551653-A1 | Enantiomeric pure 2-oxa-5,8-diazabicyclo (4.3.0)nonanes and process for their preparation | BAYER AG (DE) | 1993-07-21 | — | — | EP | disclosed |