⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12895553 | 0.79 | — | — | |
| SCHEMBL21334173 | 0.74 | — | — | |
| SCHEMBL19558089 | 0.74 | — | — | |
| SCHEMBL8172757 | 0.74 | — | — | |
| SCHEMBL1987559 | 0.74 | — | — | |
| SCHEMBL18400888 | 0.74 | — | — | |
| SCHEMBL23221891 | 0.72 | — | — | |
| SCHEMBL22314006 | 0.72 | — | — | |
| SCHEMBL21441777 | 0.72 | — | — | |
| SCHEMBL28188934 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021073623-A1 | METHOD FOR PREPARING ISOQUINOLINONE COMPOUNDS | 上海迪赛诺化学制药有限公司 | 2021-04-22 | — | — | WO | disclosed |
| US-10406144-B2 | SIP modulating agents | BIOGEN MA INC. (US) | 2019-09-10 | — | — | US | disclosed |