⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27784789 | 0.91 | — | — | |
| SCHEMBL82966 | 0.91 | — | — | |
| SCHEMBL27480856 | 0.86 | — | — | |
| Methane SCHEMBL2898431 | 0.86 | — | — | |
| SCHEMBL11360276 | 0.78 | — | — | |
| Methane SCHEMBL28279952 | 0.75 | — | — | |
| SCHEMBL29160606 | 0.70 | — | — | |
| SCHEMBL29152898 | 0.70 | — | — | |
| SCHEMBL26102490 | 0.70 | IDH1 (0.30) | — | |
| SCHEMBL1893516 | 0.70 | — | — |
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-115916919-A | Moisture-curable hot-melt adhesive | 思美定株式会社 | 2023-04-04 | — | — | CN | disclosed |
| CN-113195666-A | Moisture-curable hot-melt adhesive | 思美定株式会社 | 2021-07-30 | — | — | CN | disclosed |