⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3955608 | 0.85 | — | — | |
| SCHEMBL18768831 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL11990606 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL17613231 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL17613220 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL23130636 | 0.82 | HIF1A (0.41) | — | |
| SCHEMBL24943039 | 0.80 | HIF1A (0.33) | — | |
| SCHEMBL31012095 | 0.79 | HIF1A (0.32) | — | |
| SCHEMBL30194875 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL58439 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1112268-A1 | CONDENSED HETEROCYCLIC COMPOUNDS AND HERBICIDES CONTAINING THEM | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015633-A1 | CONDENSED HETEROCYLIC COMPOUNDS AND HERBICIDES CONTAINING THEM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-03-23 | — | — | WO | disclosed |