⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12918300 | 0.91 | — | — | |
| SCHEMBL16937983 | 0.87 | ADORA2A (0.32) | — | |
| SCHEMBL6845127 | 0.86 | MAP4K1 (0.32) | — | |
| SCHEMBL6842899 | 0.85 | PTGS2 (0.33) | — | |
| SCHEMBL6845130 | 0.84 | HSD11B1 (0.30) | — | |
| SCHEMBL6845129 | 0.84 | VCP (0.32) | — | |
| SCHEMBL12918569 | 0.83 | VCP (0.33) | — | |
| Acetic Acid SCHEMBL953587 | 0.82 | DCTPP1 (0.32) | — | |
| SCHEMBL953754 | 0.82 | MAPK14 (0.42) | — | |
| SCHEMBL956236 | 0.81 | IGF1R (0.35) | — |
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-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |