⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29066926 | 0.77 | — | — | |
| SCHEMBL75632 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL28693889 | 0.74 | CYP2C19 (0.31) | — | |
| SCHEMBL8624625 | 0.72 | — | — | |
| SCHEMBL2152288 | 0.70 | CYP2C19 (0.32) | — | |
| SCHEMBL8721766 | 0.70 | CYP2C19 (0.32) | — | |
| SCHEMBL9346865 | 0.70 | CYP2C19 (0.32) | — | |
| SCHEMBL2960180 | 0.69 | CYP2C19 (0.35) | — | |
| SCHEMBL11294682 | 0.67 | CYP2C19 (0.33) | — | |
| SCHEMBL4929121 | 0.67 | CYP2C19 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507303-A | External electron donor for olefin polymerization, catalyst system and olefin polymerization method | 中国石油化工股份有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-1138048-A | Catalyst for olefines polymerizing and manufacture method of polyolefine | TOKUHISA CO LTD (JP) | 1996-12-18 | — | — | CN | disclosed |