⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7715916 | 0.83 | LDHA (0.35) | — | |
| SCHEMBL1247793 | 0.73 | MGAM (0.39) | — | |
| SCHEMBL7715912 | 0.72 | MGAM (0.36) | — | |
| SCHEMBL6429919 | 0.70 | MMP1 (0.35) | — | |
| SCHEMBL29039623 | 0.68 | GAA (0.34) | — | |
| SCHEMBL28727605 | 0.68 | MMP1 (0.34) | — | |
| SCHEMBL21273757 | 0.68 | MMP1 (0.34) | — | |
| SCHEMBL6259557 | 0.68 | MGAM (0.34) | — | |
| SCHEMBL8751721 | 0.68 | MGAM (0.36) | — | |
| SCHEMBL29249709 | 0.67 | PAM (0.41) | — |
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-104640886-B | The manufacture method of manufacture method for the ingredient of solid catalyst of olefin polymerization, the catalyst for olefin polymerization and olefin polymerization | 东邦钛株式会社 | 2018-04-27 | — | — | CN | disclosed |