⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10437279 | 0.76 | NFKB1 (0.33) | — | |
| SCHEMBL31309865 | 0.68 | — | — | |
| SCHEMBL44894 | 0.66 | — | — | |
| SCHEMBL6013267 | 0.63 | — | — | |
| SCHEMBL10437277 | 0.63 | NFKB1 (0.33) | — | |
| Zinc Ion SCHEMBL3729737 | 0.63 | — | — | |
| SCHEMBL4101035 | 0.63 | — | — | |
| SCHEMBL4266068 | 0.63 | — | — | |
| Potassium Ion SCHEMBL7593831 | 0.63 | — | — | |
| Lithium Ion SCHEMBL9744318 | 0.63 | NFKB1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8049006-B2 | 7-membered ring compound and method of production and pharmaceutical application thereof | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-11-01 | — | — | US | disclosed |
| US-20090253683-A1 | 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF | ASUBIO PHARMA CO., LTD (JP) | 2009-10-08 | — | — | US | disclosed |
| EP-2025672-A1 | SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF | Asubio Pharma Co., Ltd. (JP) | 2009-02-18 | — | — | EP | disclosed |