⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11054767 | 0.90 | KMT2A (0.35) | — | |
| SCHEMBL4311225 | 0.77 | CYP2A6 (0.32) | — | |
| SCHEMBL2044296 | 0.69 | KMT2A (0.34) | — | |
| SCHEMBL1659708 | 0.69 | KMT2A (0.34) | — | |
| SCHEMBL2045753 | 0.69 | KMT2A (0.34) | — | |
| SCHEMBL8141014 | 0.67 | — | — | |
| SCHEMBL20627368 | 0.67 | — | — | |
| SCHEMBL875668 | 0.64 | — | — | |
| SCHEMBL1495223 | 0.64 | — | — | |
| SCHEMBL19745458 | 0.63 | TRIM24 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3386981-B1 | HETEROCYCLES USEFUL AS ANTI-CANCER AGENTS | HANGZHOU INNOGATE PHARMA CO LTD (CN) | 2021-10-13 | — | — | EP | disclosed |