⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL713736 | 0.97 | — | — | |
| SCHEMBL11622512 | 0.70 | — | — | |
| SCHEMBL3261558 | 0.59 | — | — | |
| SCHEMBL31172096 | 0.59 | — | — | |
| SCHEMBL38651245 | 0.59 | — | — | |
| SCHEMBL10828253 | 0.53 | — | — | |
| SCHEMBL3340262 | 0.52 | — | — | |
| SCHEMBL4579255 | 0.51 | — | — | |
| SCHEMBL13990705 | 0.51 | — | — | |
| SCHEMBL29175528 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59018771-A | — | — | None | — | — | JP | disclosed |
| JP-S5918771-A | AQUEOUS INK | MITSUBISHI PENCIL CO LTD | 1984-01-31 | — | — | JP | disclosed |