⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28339515 | 0.78 | — | — | |
| SCHEMBL235878 | 0.77 | ADH1B (0.32) | — | |
| SCHEMBL231332 | 0.77 | — | — | |
| SCHEMBL28928145 | 0.77 | ADH1B (0.32) | — | |
| SCHEMBL28648423 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL153226 | 0.74 | — | — | |
| SCHEMBL28650371 | 0.71 | EPHX1 (0.41) | — | |
| SCHEMBL28657363 | 0.71 | EPHX1 (0.41) | — | |
| SCHEMBL28668990 | 0.71 | EPHX1 (0.41) | — | |
| SCHEMBL28666301 | 0.71 | EPHX1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112955476-B | Process for the preparation of polyethylene | SABIC环球技术有限责任公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-112955476-A | Process for the preparation of polyethylene | SABIC环球技术有限责任公司 | 2021-06-11 | — | — | CN | disclosed |