⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23826837 | 0.86 | — | — | |
| SCHEMBL23826992 | 0.86 | — | — | |
| SCHEMBL18320482 | 0.80 | ESR2 (0.34) | — | |
| SCHEMBL18319616 | 0.75 | — | — | |
| SCHEMBL18319615 | 0.75 | — | — | |
| SCHEMBL31336522 | 0.74 | USP2 (0.38) | — | |
| SCHEMBL29366691 | 0.74 | USP2 (0.38) | — | |
| SCHEMBL1900956 | 0.72 | GPR3 (0.33) | — | |
| SCHEMBL29993410 | 0.72 | OPRM1 (0.34) | — | |
| SCHEMBL18322988 | 0.72 | — | — |
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-115244055-A | Pyrimido five-membered ring derivative and application thereof | 江苏先声药业有限公司 | 2022-10-25 | — | — | CN | disclosed |