⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28020124 | 0.98 | — | — | |
| SCHEMBL27591396 | 0.81 | — | — | |
| SCHEMBL2852632 | 0.78 | — | — | |
| SCHEMBL28434141 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL4628209 | 0.74 | CYP1A2 (0.31) | — | |
| SCHEMBL989811 | 0.72 | — | — | |
| SCHEMBL28004544 | 0.71 | — | — | |
| SCHEMBL9193932 | 0.69 | — | — | |
| SCHEMBL11625390 | 0.67 | ACHE (0.30) | — | |
| SCHEMBL8849527 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109715680-A | The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series | 株式会社普利司通 | 2019-05-03 | — | — | CN | claimed |
| CN-104761664-A | Catalyst composition used in olefin polymerization and application thereof | BEIJING COMBINE TECH CO LTD | 2015-07-08 | — | — | CN | claimed |
| CN-109715680-B | Process for preparing high cis-1, 4-polydienes with lanthanide-based catalyst compositions | 株式会社普利司通 | 2021-10-19 | — | — | CN | disclosed |
| CN-109715680-A | The method for preparing high-cis -1,4- polydiene with the carbon monoxide-olefin polymeric based on lanthanide series | 株式会社普利司通 | 2019-05-03 | — | — | CN | disclosed |
| CN-104761664-A | Catalyst composition used in olefin polymerization and application thereof | BEIJING COMBINE TECH CO LTD | 2015-07-08 | — | — | CN | disclosed |