⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12491347 | 0.86 | THRB (0.32) | — | |
| SCHEMBL2176825 | 0.79 | — | — | |
| SCHEMBL12408697 | 0.73 | — | — | |
| SCHEMBL20302294 | 0.71 | — | — | |
| SCHEMBL10272527 | 0.63 | PDE10A (0.32) | — | |
| SCHEMBL20320918 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL18039130 | 0.62 | — | — | |
| SCHEMBL21702319 | 0.61 | — | — | |
| SCHEMBL21866060 | 0.61 | NPC1 (0.31) | — | |
| SCHEMBL801870 | 0.61 | ALDH1A1 (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2342191-B1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORP (JP) | 2013-03-20 | — | — | EP | disclosed |
| EP-2342191-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-07-13 | — | — | EP | disclosed |
| US-20110166135-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-07-07 | — | — | US | disclosed |
| US-20110166135-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-07-07 | — | — | US | disclosed |
| US-20110166135-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-07-07 | — | — | US | disclosed |
| WO-2010030027-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-18 | — | — | WO | disclosed |
| WO-2010030027-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-18 | — | — | WO | disclosed |