⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24858580 | 0.83 | — | — | |
| SCHEMBL21137489 | 0.73 | — | — | |
| SCHEMBL19250753 | 0.72 | — | — | |
| SCHEMBL27313049 | 0.70 | TRPA1 (0.32) | — | |
| SCHEMBL18595971 | 0.70 | TRPA1 (0.32) | — | |
| SCHEMBL24090513 | 0.68 | — | — | |
| SCHEMBL19727315 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL12614067 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL22053988 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL19727302 | 0.68 | MEN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220119382-A1 | RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2022-04-21 | — | — | US | disclosed |