⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1865280 | 0.97 | — | — | |
| SCHEMBL15629139 | 0.84 | TSHR (0.38) | — | |
| SCHEMBL23814 | 0.81 | — | — | |
| SCHEMBL24736823 | 0.80 | — | — | |
| SCHEMBL83545 | 0.80 | — | — | |
| SCHEMBL671345 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL9438419 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL5181412 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL3555041 | 0.71 | — | — | |
| SCHEMBL1658331 | 0.71 | TSHR (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280009-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS AND FUNGICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nippon Soda Co., Ltd. (JP) | 2011-02-02 | — | — | EP | disclosed |