⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19507122 | 0.80 | PDE2A (0.36) | — | |
| SCHEMBL21603433 | 0.71 | HRH4 (0.38) | — | |
| SCHEMBL21603363 | 0.70 | MAPT (0.34) | — | |
| SCHEMBL3941962 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL2735020 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL20680908 | 0.67 | POLB (0.32) | — | |
| SCHEMBL9861275 | 0.66 | PDE2A (0.36) | — | |
| SCHEMBL19507123 | 0.66 | PDE2A (0.36) | — | |
| SCHEMBL20903675 | 0.65 | — | — | |
| SCHEMBL30567336 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020018970-A1 | SULFONYLUREA COMPOUNDS AS INHIBITORS OF INTERLEUKIN-1 ACTIVITY | GENENTECH, INC. (US) | 2020-01-23 | — | — | WO | disclosed |