⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30509114 | 1.00 | — | — | |
| SCHEMBL29062494 | 0.79 | NOS3 (0.34) | — | |
| SCHEMBL29062495 | 0.77 | — | — | |
| SCHEMBL23833609 | 0.74 | — | — | |
| SCHEMBL29467354 | 0.71 | MAOB (0.36) | — | |
| SCHEMBL28728513 | 0.71 | MAOB (0.36) | — | |
| SCHEMBL3826142 | 0.68 | S1PR2 (0.37) | — | |
| SCHEMBL31088688 | 0.68 | TRPV4 (0.41) | — | |
| SCHEMBL16375109 | 0.68 | TRPV4 (0.41) | — | |
| SCHEMBL27037818 | 0.68 | XDH (0.39) | — |
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-114315900-B | 3-aryl pyrazolopyrimidine derivative and application thereof | 美迪西普胜医药科技(上海)有限公司 | 2023-09-05 | — | — | CN | disclosed |