⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28430322 | 0.89 | — | — | |
| SCHEMBL31620917 | 0.85 | — | — | |
| SCHEMBL23802491 | 0.81 | — | — | |
| SCHEMBL10046210 | 0.81 | — | — | |
| SCHEMBL14474695 | 0.81 | — | — | |
| SCHEMBL29463679 | 0.80 | — | — | |
| SCHEMBL29185908 | 0.80 | — | — | |
| SCHEMBL28976122 | 0.80 | — | — | |
| SCHEMBL18118845 | 0.80 | — | — | |
| SCHEMBL3039787 | 0.80 | — | — |
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-111505175-B | Crosslinking agent for mass spectrum and preparation and application thereof | 上海科技大学 | 2022-07-05 | — | — | CN | disclosed |
| CN-111505175-A | Crosslinking agent for mass spectrum and preparation and application thereof | 上海科技大学 | 2020-08-07 | — | — | CN | disclosed |