⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12947617 | 0.91 | F2RL1 (0.31) | — | |
| SCHEMBL6845041 | 0.90 | F2RL1 (0.30) | — | |
| SCHEMBL6842926 | 0.88 | CKS1B (0.35) | — | |
| SCHEMBL13256833 | 0.87 | F2RL1 (0.32) | — | |
| SCHEMBL13256842 | 0.86 | F2RL1 (0.31) | — | |
| SCHEMBL12947616 | 0.84 | F2RL1 (0.34) | — | |
| SCHEMBL952687 | 0.83 | AKT1 (0.35) | — | |
| SCHEMBL956712 | 0.81 | AKT1 (0.37) | — | |
| SCHEMBL952549 | 0.81 | F2RL1 (0.34) | — | |
| SCHEMBL6842948 | 0.80 | METTL3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |