⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14343309 | 0.85 | DPP4 (0.33) | — | |
| SCHEMBL14343223 | 0.85 | DPP4 (0.33) | — | |
| SCHEMBL9585978 | 0.85 | DPP4 (0.33) | — | |
| SCHEMBL9378121 | 0.84 | DPP4 (0.32) | — | |
| SCHEMBL295066 | 0.65 | SLC18A3 (0.30) | — | |
| SCHEMBL18872279 | 0.62 | — | — | |
| SCHEMBL2336833 | 0.62 | — | — | |
| SCHEMBL22732393 | 0.62 | — | — | |
| SCHEMBL22732394 | 0.62 | — | — | |
| SCHEMBL3207004 | 0.62 | — | — |
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-113166149-B | Compounds for the treatment of type II diabetes | 尼奥比奥特克有限责任公司 | 2024-02-23 | — | — | CN | disclosed |