⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7651387 | 0.91 | — | — | |
| SCHEMBL20461 | 0.82 | — | — | |
| SCHEMBL5442827 | 0.82 | ALDH1A1 (0.43) | — | |
| Magnesium SCHEMBL3899343 | 0.73 | — | — | |
| SCHEMBL10348508 | 0.73 | — | — | |
| SCHEMBL17393533 | 0.73 | — | — | |
| SCHEMBL11353006 | 0.73 | — | — | |
| SCHEMBL8581776 | 0.73 | — | — | |
| SCHEMBL1415964 | 0.73 | — | — | |
| SCHEMBL1663390 | 0.73 | — | — |
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-0395391-B1 | Catalyst component for producing crystalline polymers and a process for producing the catalyst | CHISSO CORP (JP) | 1996-09-25 | — | — | EP | disclosed |