⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2034376 | 1.00 | — | — | |
| SCHEMBL4992488 | 0.71 | — | — | |
| SCHEMBL10007329 | 0.69 | — | — | |
| SCHEMBL7756366 | 0.67 | LMNA (0.39) | — | |
| SCHEMBL10859389 | 0.67 | — | — | |
| Urea SCHEMBL28297434 | 0.65 | — | — | |
| SCHEMBL2891405 | 0.65 | ACHE (0.35) | — | |
| SCHEMBL8434166 | 0.65 | TSHR (0.37) | — | |
| Iodide SCHEMBL11865059 | 0.65 | — | — | |
| SCHEMBL8435949 | 0.65 | TSHR (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117024438-A | Esatitecan derivative and application thereof | 杭州爱科瑞思生物医药有限公司 | 2023-11-10 | — | — | CN | disclosed |
| CN-105764986-A | Process for producing masterbatch | 株式会社ADEKA | 2016-07-13 | — | — | CN | disclosed |
| CN-105705570-A | Coated substrate having improved coating properties | 株式会社艾迪科 | 2016-06-22 | — | — | CN | disclosed |
| CN-105229079-A | Products formed, use the ameliorative way of its insulating material and the electrical insulating property of polyester and resin composition | ADEKA CORP | 2016-01-06 | — | — | CN | disclosed |