⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12075530 | 0.72 | MEN1 (0.36) | — | |
| SCHEMBL12598648 | 0.71 | CCR1 (0.37) | — | |
| SCHEMBL12598652 | 0.71 | CCR1 (0.37) | — | |
| SCHEMBL6510183 | 0.70 | PDE3B (0.42) | — | |
| SCHEMBL5347811 | 0.69 | CCR1 (0.30) | — | |
| SCHEMBL8118391 | 0.69 | — | — | |
| SCHEMBL19331146 | 0.67 | CCR8 (0.31) | — | |
| SCHEMBL18097452 | 0.66 | DYRK1A (0.35) | — | |
| SCHEMBL20557572 | 0.66 | ASIC3 (0.46) | — | |
| SCHEMBL6982246 | 0.66 | CCR1 (0.54) | — |
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-4507477-A | CYCLIZATION | RIKER LABORATORIES, INC. (US) | 1985-03-26 | — | — | US | disclosed |