⚠ 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 | |
|---|---|---|---|---|
| Allylthiourea SCHEMBL29372 | 0.97 | — | — | |
| Allylthiourea SCHEMBL8763252 | 0.95 | ALDH1A1 (0.95) | — | |
| Allylthiourea SCHEMBL28461431 | 0.95 | — | — | |
| Allylthiourea SCHEMBL10882505 | 0.95 | — | — | |
| Allylthiourea SCHEMBL30309853 | 0.95 | — | — | |
| Allylthiourea SCHEMBL29055951 | 0.95 | — | — | |
| Allylthiourea SCHEMBL28555320 | 0.95 | — | — | |
| Allylthiourea SCHEMBL7192618 | 0.90 | TSHR (0.86) | — | |
| Allylthiourea SCHEMBL28684176 | 0.90 | ALDH1A1 (0.86) | — | |
| Allylthiourea SCHEMBL21714589 | 0.88 | TSHR (0.82) | — |
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-116355346-B | Low-smoke halogen-free flame-retardant crosslinked polyolefin for energy storage | 广东安拓普聚合物科技股份有限公司 | 2023-11-24 | — | — | CN | claimed |
| CN-116355346-A | Low-smoke halogen-free flame-retardant crosslinked polyolefin for energy storage | 广东安拓普聚合物科技有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-116355346-B | Low-smoke halogen-free flame-retardant crosslinked polyolefin for energy storage | 广东安拓普聚合物科技股份有限公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-116355346-A | Low-smoke halogen-free flame-retardant crosslinked polyolefin for energy storage | 广东安拓普聚合物科技有限公司 | 2023-06-30 | — | — | CN | disclosed |