⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13209321 | 0.62 | OR51E2 (0.33) | — | |
| SCHEMBL17736445 | 0.59 | OR51E2 (0.31) | — | |
| SCHEMBL21886264 | 0.55 | UHRF1 (0.30) | — | |
| SCHEMBL20927597 | 0.51 | OR51E2 (0.30) | — | |
| SCHEMBL8204032 | 0.49 | — | — | |
| SCHEMBL14024447 | 0.49 | — | — | |
| SCHEMBL13209319 | 0.47 | — | — | |
| SCHEMBL17696400 | 0.47 | OR51E2 (0.34) | — | |
| SCHEMBL19300802 | 0.46 | — | — | |
| SCHEMBL742732 | 0.46 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11161820-B2 | Process for producing organic compound | KANEKA CORPORATION (JP) | 2021-11-02 | — | — | US | disclosed |
| US-20200207717-A1 | PROCESS FOR PRODUCING ORGANIC COMPOUND | KANEKA CORPORATION (JP) | 2020-07-02 | — | — | US | disclosed |