⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16814072 | 0.88 | MEN1 (0.56) | — | |
| SCHEMBL23142238 | 0.86 | MEN1 (0.59) | — | |
| SCHEMBL12241446 | 0.72 | CDC7 (0.54) | — | |
| SCHEMBL13560077 | 0.68 | PNMT (0.75) | — | |
| SCHEMBL8915779 | 0.67 | RAB9A (0.93) | — | |
| SCHEMBL6424327 | 0.67 | PNMT (1.00) | — | |
| SCHEMBL22358675 | 0.65 | — | — | |
| SCHEMBL19486031 | 0.65 | MEN1 (0.49) | — | |
| SCHEMBL1011216 | 0.64 | PNMT (0.44) | — | |
| SCHEMBL930106 | 0.64 | PNMT (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022161420-A1 | CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海翊石医药科技有限公司 | 2022-08-04 | — | — | WO | disclosed |