⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6389624 | 0.94 | — | — | |
| SCHEMBL236838 | 0.94 | — | — | |
| SCHEMBL8389319 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL7599813 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL83544 | 0.77 | — | — | |
| SCHEMBL4275832 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL3338373 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL10670559 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL15864330 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL10921111 | 0.71 | LMNA (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2314583-B1 | NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT | NIPPON SODA CO (JP) | 2015-02-25 | — | — | EP | disclosed |
| US-8557738-B2 | Nitrogen-containing heterocyclic derivative and fungicide for agricultural and horticultural use | NIPPON SODA CO., LTD. (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20110136782-A1 | NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE AND FUNGICIDE FOR AGRICULTURAL AND HORTICULTURAL USE | NIPPON SODA CO., LTD (JP) | 2011-06-09 | — | — | US | disclosed |
| EP-2314583-A1 | NITROGENATED HETEROCYCLIC DERIVATIVE, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDAL AGENT | Nippon Soda Co., Ltd. (JP) | 2011-04-27 | — | — | EP | disclosed |
| EP-2280009-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nippon Soda Co., Ltd. (JP) | 2011-02-02 | — | — | EP | disclosed |