⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28051409 | 0.81 | PDE4B (0.32) | — | |
| SCHEMBL15154498 | 0.70 | — | — | |
| SCHEMBL28028901 | 0.67 | PDE4B (0.32) | — | |
| SCHEMBL1306115 | 0.67 | PDE4B (0.32) | — | |
| SCHEMBL28051348 | 0.65 | — | — | |
| SCHEMBL4448355 | 0.65 | — | — | |
| SCHEMBL27572278 | 0.64 | PDE4B (0.41) | — | |
| SCHEMBL175260 | 0.64 | — | — | |
| SCHEMBL28284139 | 0.63 | PDE4B (0.34) | — | |
| SCHEMBL28051378 | 0.63 | ALDH1A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105229041-A | Nitrogen-containing heterocycle compound modified polyolefin and containing its binder composition | TOYO BOSEKI | 2016-01-06 | — | — | CN | disclosed |