⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL896775 | 0.94 | — | — | |
| Acetone SCHEMBL29044283 | 0.80 | PAOX (0.37) | — | |
| Urea SCHEMBL29029493 | 0.78 | CTSD (0.37) | — | |
| SCHEMBL6575653 | 0.75 | — | — | |
| SCHEMBL5696489 | 0.75 | — | — | |
| SCHEMBL234302 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL232916 | 0.73 | ADH1B (0.32) | — | |
| SCHEMBL7922038 | 0.73 | TSHR (0.50) | — | |
| Lithium SCHEMBL30095513 | 0.72 | — | — | |
| SCHEMBL6744306 | 0.71 | EPHX1 (0.50) | — |
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-110719934-B | Functionalized ethylene and 1, 3-butadiene copolymers | 米其林集团总公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-110719934-A | Functionalized ethylene and 1, 3-butadiene copolymers | 米其林集团总公司 | 2020-01-21 | — | — | CN | disclosed |