⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4613663 | 0.90 | ADORA2A (0.38) | — | |
| SCHEMBL4612918 | 0.90 | POLB (0.39) | — | |
| SCHEMBL29883407 | 0.90 | ADORA2A (0.38) | — | |
| SCHEMBL3401196 | 0.90 | KDM4E (0.41) | — | |
| SCHEMBL29884529 | 0.86 | MAPK1 (0.42) | — | |
| SCHEMBL4613841 | 0.86 | POLB (0.59) | — | |
| SCHEMBL28932857 | 0.86 | PIM1 (0.37) | — | |
| SCHEMBL28932856 | 0.86 | PIM1 (0.37) | — | |
| SCHEMBL29883404 | 0.83 | JAK1 (0.35) | — | |
| SCHEMBL21356705 | 0.83 | HRH3 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116888101-A | Substituted isoxazoline derivatives | 巴斯夫欧洲公司 | 2023-10-13 | — | — | CN | disclosed |
| WO-2005049602-A1 | QUINOLONE ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY LLC (US) | 2005-06-02 | — | — | WO | disclosed |