⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8863068 | 0.75 | — | — | |
| SCHEMBL1632606 | 0.75 | — | — | |
| SCHEMBL3332459 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL239231 | 0.67 | — | — | |
| Isopropyl Alcohol SCHEMBL3814149 | 0.67 | ALDH1A1 (0.55) | — | |
| SCHEMBL29230012 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL745032 | 0.65 | — | — | |
| SCHEMBL29011128 | 0.64 | — | — | |
| SCHEMBL4427937 | 0.61 | — | — | |
| Methyl Alcohol SCHEMBL21581951 | 0.61 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7550475-B2 | Condensed polycyclic compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-06-23 | — | — | US | disclosed |
| US-7550476-B2 | Condensed polycyclic compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-06-23 | — | — | US | disclosed |
| US-7550464-B2 | Use of phosphodiesterase 4 inhibitors such as 8,9-dimethoxy-6-phenyl-1,3,4,6,11,11a-hexahydro-2H -pyrazino[1,2-b]isoquinoline for treating asthma, chronic obstructive pulmonary disease, atopic dermatitis, allergic rhinitis, psoriasis, rheumatoid arthritis, septic shock, ulcerative colitis | MITSUBISHI TANBE PHARMA CORPORATION (JP) | 2009-06-23 | — | — | US | disclosed |
| EP-1424326-B1 | FUSED-POLYCYCLIC COMPOUNDS | MITSUBISHI TANABE PHARMA CORP (JP) | 2008-05-28 | — | — | EP | disclosed |
| US-20070010521-A1 | Condensed polycyclic compounds | TANABE SEIYAKU CO., LTD. | 2007-01-11 | — | — | US | disclosed |
| US-20070004739-A1 | Condensed polycyclic compounds | TANABE SEIYAKU CO., LTD. | 2007-01-04 | — | — | US | disclosed |
| US-20070004740-A1 | Condensed polycyclic compounds | TANABE SEIYAKU CO., LTD. | 2007-01-04 | — | — | US | disclosed |
| US-7153859-B2 | Condensed polycyclic compounds | TANABE SEIYAKU CO., LTD. (JP) | 2006-12-26 | — | — | US | disclosed |
| US-20040204418-A1 | Fused-polycyclic compounds | TANABE SEIYAKU CO., LTD. (JP) | 2004-10-14 | — | — | US | disclosed |
| EP-1424326-A1 | FUSED-POLYCYCLIC COMPOUNDS | TANABE SEIYAKU CO., LTD. (JP) | 2004-06-02 | — | — | EP | disclosed |