⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4270861 | 0.73 | P2RX7 (0.32) | — | |
| SCHEMBL7712267 | 0.71 | ALOX15 (0.37) | — | |
| SCHEMBL31536694 | 0.69 | MEN1 (0.32) | — | |
| SCHEMBL28317502 | 0.67 | ATM (0.42) | — | |
| SCHEMBL27396523 | 0.66 | KDM5A (0.35) | — | |
| SCHEMBL19689367 | 0.66 | — | — | |
| SCHEMBL28336002 | 0.65 | MEN1 (0.40) | — | |
| SCHEMBL11196636 | 0.64 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL11191275 | 0.62 | PDE4A (0.30) | — | |
| SCHEMBL6032769 | 0.62 | ALDH1A1 (0.31) | — |
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-108276567-B | Application of ionic liquid as catalyst in preparation of liquid crystal polyester and preparation method of liquid crystal polyester | 金发科技股份有限公司 | 2020-07-14 | — | — | CN | disclosed |