⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL332402 | 0.69 | — | — | |
| Silicate SCHEMBL9513040 | 0.67 | — | — | |
| SCHEMBL17727834 | 0.64 | — | — | |
| SCHEMBL246492 | 0.64 | — | — | |
| SCHEMBL166708 | 0.64 | — | — | |
| SCHEMBL423245 | 0.64 | — | — | |
| Silicate SCHEMBL6881647 | 0.61 | — | — | |
| SCHEMBL578215 | 0.59 | — | — | |
| SCHEMBL26465 | 0.59 | — | — | |
| Silicate SCHEMBL8679579 | 0.57 | — | — |
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-0249660-A1 | A process for the conversion of x-rays | AGFA-GEVAERT N.V. (BE) | 1987-12-23 | — | — | EP | disclosed |