⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19135701 | 0.85 | — | — | |
| SCHEMBL368863 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL14616012 | 0.82 | KIF11 (0.31) | — | |
| SCHEMBL19135697 | 0.82 | — | — | |
| SCHEMBL19579199 | 0.80 | — | — | |
| SCHEMBL12176981 | 0.80 | — | — | |
| SCHEMBL3175803 | 0.79 | — | — | |
| SCHEMBL19546380 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL19527282 | 0.78 | — | — | |
| SCHEMBL22996038 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020155497-A1 | POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF | 重庆阿普格雷生物科技有限公司 | 2020-08-06 | — | — | WO | disclosed |