⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27756308 | 0.69 | — | — | |
| SCHEMBL27501675 | 0.67 | — | — | |
| SCHEMBL10535680 | 0.65 | CYP1A2 (0.40) | — | |
| SCHEMBL22773413 | 0.64 | — | — | |
| SCHEMBL104299 | 0.64 | CYP1A2 (0.45) | — | |
| SCHEMBL6185149 | 0.63 | — | — | |
| SCHEMBL20603727 | 0.63 | — | — | |
| SCHEMBL2472454 | 0.61 | — | — | |
| SCHEMBL27735641 | 0.61 | — | — | |
| SCHEMBL881189 | 0.61 | LMNA (0.43) | — |
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-111479871-A | Polyolefin polymer composition | 格雷斯公司 | 2020-07-31 | — | — | CN | disclosed |