⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5182065 | 0.80 | — | — | |
| SCHEMBL28890410 | 0.80 | — | — | |
| SCHEMBL309595 | 0.80 | — | — | |
| SCHEMBL309596 | 0.80 | — | — | |
| SCHEMBL28890406 | 0.80 | — | — | |
| SCHEMBL23930790 | 0.80 | — | — | |
| SCHEMBL10039866 | 0.80 | — | — | |
| SCHEMBL22394539 | 0.80 | — | — | |
| SCHEMBL21958207 | 0.80 | — | — | |
| SCHEMBL19864288 | 0.78 | PPARA (0.45) | — |
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-112574569-A | Multi-temperature response shape memory organic silicon rubber material and preparation method and application thereof | 中国科学院化学研究所 | 2021-03-30 | — | — | CN | disclosed |