⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20637058 | 1.00 | — | — | |
| SCHEMBL57155 | 0.94 | — | — | |
| SCHEMBL28164791 | 0.86 | — | — | |
| SCHEMBL5984673 | 0.84 | — | — | |
| SCHEMBL15629139 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL24736823 | 0.80 | — | — | |
| SCHEMBL83545 | 0.80 | — | — | |
| SCHEMBL17607512 | 0.80 | — | — | |
| SCHEMBL4653010 | 0.80 | — | — | |
| SCHEMBL3246553 | 0.79 | TSHR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116685409-A | Method for flotation of silicate-containing iron ore | 巴斯夫欧洲公司 | 2023-09-01 | — | — | CN | disclosed |
| 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 |