⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4753680 | 0.83 | — | — | |
| SCHEMBL2862352 | 0.77 | KDM4E (0.40) | — | |
| SCHEMBL4936290 | 0.65 | — | — | |
| SCHEMBL6738847 | 0.65 | TYR (0.39) | — | |
| SCHEMBL10864094 | 0.65 | — | — | |
| SCHEMBL112009 | 0.65 | — | — | |
| SCHEMBL1804161 | 0.65 | — | — | |
| SCHEMBL31398609 | 0.60 | — | — | |
| SCHEMBL14327876 | 0.60 | TYR (0.30) | — | |
| SCHEMBL18198957 | 0.60 | TYR (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080312307-A1 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-18 | — | — | US | disclosed |
| WO-2008148034-A1 | MAPK/ERK KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-12-04 | — | — | WO | disclosed |
| EP-0196328-A1 | ULTRA VIOLET AGENTS | AUSTRALIAN INSTITUTE OF MARINE SCIENCE (AU) | 1986-10-08 | — | — | EP | disclosed |
| WO-1986002350-A1 | ULTRA VIOLET AGENTS | AUSTRALIAN INSTITUTE OF MARINE SCIENCE (AU) | 1986-04-24 | — | — | WO | disclosed |