⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27531771 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL3889052 | 0.75 | CA1 (0.42) | — | |
| SCHEMBL1553827 | 0.73 | CA1 (0.44) | — | |
| SCHEMBL833965 | 0.71 | — | — | |
| SCHEMBL29433 | 0.71 | CA1 (0.42) | — | |
| SCHEMBL29432 | 0.71 | CA1 (0.42) | — | |
| Water SCHEMBL19837703 | 0.69 | — | — | |
| SCHEMBL28045023 | 0.67 | — | — | |
| SCHEMBL3889589 | 0.65 | CA12 (0.34) | — | |
| SCHEMBL27819783 | 0.65 | — | — |
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-115836053-A | Pyrazolone formyl peptide 2 receptor agonists | 百时美施贵宝公司 | 2023-03-21 | — | — | CN | disclosed |