⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31483399 | 0.74 | — | — | |
| SCHEMBL31228706 | 0.68 | — | — | |
| SCHEMBL5164437 | 0.68 | PABPC1 (0.46) | — | |
| SCHEMBL1131347 | 0.66 | IDO1 (0.36) | — | |
| SCHEMBL21880159 | 0.63 | KMT2A (0.50) | — | |
| SCHEMBL21253847 | 0.52 | MEN1 (0.39) | — | |
| SCHEMBL11218163 | 0.46 | ACHE (0.30) | — | |
| Hexamethylbenzene SCHEMBL114857 | 0.46 | RXFP1 (0.33) | — | |
| SCHEMBL18205013 | 0.46 | — | — | |
| P-Xylene SCHEMBL33600 | 0.46 | — | — |
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-118359804-A | Bio-based polyoxime ether polyol and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2024-07-19 | — | — | CN | claimed |
| CN-118359804-A | Bio-based polyoxime ether polyol and preparation method and application thereof | 中国科学院宁波材料技术与工程研究所 | 2024-07-19 | — | — | CN | disclosed |