⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22967732 | 0.79 | — | — | |
| SCHEMBL27088834 | 0.76 | — | — | |
| SCHEMBL27088840 | 0.76 | — | — | |
| SCHEMBL17835260 | 0.67 | DPP4 (0.30) | — | |
| SCHEMBL23559818 | 0.67 | DPP4 (0.30) | — | |
| SCHEMBL15586309 | 0.67 | DPP4 (0.30) | — | |
| SCHEMBL26058852 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL22924157 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL23178884 | 0.67 | — | — | |
| SCHEMBL24174582 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4015520-A1 | OXYGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2022-06-22 | — | — | EP | disclosed |