⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17222991 | 0.77 | SOS1 (0.38) | — | |
| SCHEMBL29915681 | 0.77 | SOS1 (0.38) | — | |
| SCHEMBL5733666 | 0.74 | — | — | |
| SCHEMBL16652774 | 0.73 | KDM1A (0.31) | — | |
| SCHEMBL29396883 | 0.73 | KDM1A (0.31) | — | |
| SCHEMBL27987247 | 0.72 | KDM1A (0.33) | — | |
| SCHEMBL5733710 | 0.70 | — | — | |
| SCHEMBL29033088 | 0.70 | SOS1 (0.36) | — | |
| SCHEMBL28571888 | 0.69 | APEX1 (0.30) | — | |
| SCHEMBL28831474 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1646389-A1 | PYRIMIDINE-2,4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2005007165-A1 | PYRIMIDINE-2, 4-DIONE DERIVATIVES AS GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2005-01-27 | — | — | WO | disclosed |