⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18756528 | 0.96 | — | — | |
| SCHEMBL5590128 | 0.96 | — | — | |
| SCHEMBL5590122 | 0.96 | — | — | |
| SCHEMBL13451949 | 0.69 | — | — | |
| SCHEMBL5485015 | 0.69 | — | — | |
| SCHEMBL18199910 | 0.67 | — | — | |
| SCHEMBL27939373 | 0.67 | — | — | |
| SCHEMBL5956982 | 0.67 | — | — | |
| SCHEMBL6014462 | 0.67 | — | — | |
| SCHEMBL16349458 | 0.67 | — | — |
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-112979899-A | High-reverse-dialing elastic biomass water-based PU resin and formula development technology | 高鼎精密材料股份有限公司 | 2021-06-18 | — | — | CN | disclosed |
| US-3953559-A | Reverse coating process using a lactam release agent | BAYER AKTIENGESELLSCHAFT (DT) | 1976-04-27 | — | — | US | disclosed |