⚠ 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 | |
|---|---|---|---|---|
| 2-Pyrrolidone SCHEMBL27585545 | 0.91 | OR51E2 (0.65) | — | |
| 2-Pyrrolidone SCHEMBL10474577 | 0.90 | — | — | |
| 2-Pyrrolidone SCHEMBL19283356 | 0.88 | OR51E2 (0.75) | — | |
| 2-Pyrrolidone SCHEMBL5832885 | 0.88 | OR51E2 (0.75) | — | |
| 2-Pyrrolidone SCHEMBL3225022 | 0.88 | OR51E2 (0.75) | — | |
| 2-Pyrrolidone SCHEMBL17595455 | 0.88 | OR51E2 (0.75) | — | |
| 2-Pyrrolidone SCHEMBL27520190 | 0.87 | — | — | |
| 2-Pyrrolidone SCHEMBL5051625 | 0.86 | — | — | |
| 2-Pyrrolidone SCHEMBL28218276 | 0.86 | — | — | |
| 2-Pyrrolidone SCHEMBL9397612 | 0.85 | — | — |
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-115160341-B | Benzoxazine compound and pharmaceutical application thereof | 中国医学科学院医学实验动物研究所 | 2023-07-18 | — | — | CN | disclosed |