⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6832473 | 0.72 | — | — | |
| SCHEMBL19346764 | 0.61 | — | — | |
| SCHEMBL1651050 | 0.54 | — | — | |
| SCHEMBL48555 | 0.54 | — | — | |
| SCHEMBL978384 | 0.51 | — | — | |
| SCHEMBL3343202 | 0.51 | MAN1B1 (0.57) | — | |
| SCHEMBL357919 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL24204 | 0.51 | — | — | |
| SCHEMBL29033484 | 0.51 | — | — | |
| SCHEMBL48728 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137505-A | Nitrogen-containing heterocycle compound | 富士胶片株式会社 | 2018-06-08 | — | — | CN | disclosed |