⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16860544 | 0.64 | TRIM24 (0.38) | — | |
| SCHEMBL18112448 | 0.64 | — | — | |
| SCHEMBL16860545 | 0.64 | TRIM24 (0.38) | — | |
| SCHEMBL10712112 | 0.61 | — | — | |
| SCHEMBL9430758 | 0.60 | — | — | |
| SCHEMBL28898374 | 0.59 | — | — | |
| SCHEMBL31232342 | 0.59 | — | — | |
| SCHEMBL31232329 | 0.58 | — | — | |
| SCHEMBL11026382 | 0.57 | ESR1 (0.42) | — | |
| SCHEMBL28449559 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120025613-A | Toughening vulcanized rubber based on C-H activation strategy, and preparation method and application thereof | 海南大学 | 2025-05-23 | — | — | CN | claimed |
| CN-120025613-A | Toughening vulcanized rubber based on C-H activation strategy, and preparation method and application thereof | 海南大学 | 2025-05-23 | — | — | CN | disclosed |
| CN-118772415-A | Isotopic polymer, composition containing same and chip device | 隆达电子股份有限公司 | 2024-10-15 | — | — | CN | disclosed |