⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6431762 | 0.87 | — | — | |
| SCHEMBL608192 | 0.76 | SLC6A2 (0.33) | — | |
| SCHEMBL609748 | 0.75 | SLC6A2 (0.32) | — | |
| SCHEMBL27449093 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL11311526 | 0.71 | — | — | |
| SCHEMBL608341 | 0.70 | — | — | |
| SCHEMBL130329 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL5132469 | 0.70 | GRIK1 (0.35) | — | |
| SCHEMBL610564 | 0.70 | — | — | |
| SCHEMBL8461805 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6911554-B2 | Isocyano substituted polystyrene carbonate resin for use in 3 and 4 component condensation reactions | ARRAY BIOPHARMA INC. (US) | 2005-06-28 | — | — | US | disclosed |
| US-20030225267-A1 | Isocyano substituted polystyrene carbonate resin for use in 3 and 4 component condensation reactions | ARRAY BIOPHARMA INC. | 2003-12-04 | — | — | US | disclosed |