⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20960290 | 0.77 | — | — | |
| SCHEMBL10207367 | 0.75 | — | — | |
| SCHEMBL8252887 | 0.75 | — | — | |
| SCHEMBL24233166 | 0.75 | — | — | |
| SCHEMBL8252892 | 0.75 | — | — | |
| SCHEMBL24728432 | 0.73 | KISS1R (0.42) | — | |
| SCHEMBL24154557 | 0.73 | — | — | |
| SCHEMBL21515900 | 0.73 | KISS1R (0.38) | — | |
| SCHEMBL13475050 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL19862685 | 0.73 | — | — |
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-2021109351-A1 | POLYETHYLENE GLYCOL CONJUGATE DRUG, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 重庆阿普格雷生物科技有限公司 | 2021-06-10 | — | — | WO | disclosed |