⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL132714 | 0.74 | CYP2C19 (0.31) | — | |
| SCHEMBL21161030 | 0.74 | CYP2C19 (0.36) | — | |
| SCHEMBL28664010 | 0.73 | — | — | |
| SCHEMBL13512861 | 0.70 | — | — | |
| SCHEMBL26750370 | 0.70 | — | — | |
| SCHEMBL12663467 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL699111 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL10935925 | 0.67 | MAPK1 (0.33) | — | |
| SCHEMBL16968103 | 0.67 | MAPK1 (0.33) | — | |
| SCHEMBL17237453 | 0.67 | TSHR (0.52) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1395544-B1 | METHODS OF MAKING 21- 4'-(NITROOXYALKYL) BENZOATE CORTICOSTEROID DERIVATIVES AND INTERMEDIATES USEFUL IN THE SYNTHESIS THEREOF | NICOX SA (FR) | 2012-01-04 | — | — | EP | claimed |
| EP-0032131-B1 | 5-HALO-PYRIMIDIN-2-ONES, THE SALTS THEREOF, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | NYEGAARD & CO. A/S (NO) | 1983-09-21 | — | — | EP | disclosed |
| US-4399140-A | CYTOTOXIC | NYEGAARD & CO. A/S (NO) | 1983-08-16 | — | — | US | disclosed |
| EP-0032131-A1 | 5-Halo-pyrimidin-2-ones, the salts thereof, processes for their preparation and pharmaceutical compositions containing them | NYEGAARD & CO. A/S (NO) | 1981-07-15 | — | — | EP | disclosed |