⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11590284 | 0.82 | — | — | |
| SCHEMBL9580543 | 0.79 | — | — | |
| SCHEMBL24919592 | 0.73 | CHRNB2 (0.35) | — | |
| SCHEMBL6847839 | 0.69 | — | — | |
| Ethylene SCHEMBL20335437 | 0.65 | — | — | |
| SCHEMBL1444571 | 0.63 | — | — | |
| Bicarbonate SCHEMBL28726125 | 0.63 | TP53 (0.35) | — | |
| SCHEMBL5492458 | 0.62 | FDPS (0.30) | — | |
| SCHEMBL2778855 | 0.61 | — | — | |
| SCHEMBL11820984 | 0.61 | TP53 (0.33) | — |
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-108473672-B | Process for preparing melt polycarbonate | 国际壳牌研究有限公司 | 2020-12-08 | — | — | CN | disclosed |