⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11162027 | 0.86 | CHRM1 (0.38) | — | |
| SCHEMBL11163030 | 0.86 | POLB (0.40) | — | |
| SCHEMBL10735453 | 0.74 | HPGD (0.32) | — | |
| SCHEMBL10742303 | 0.72 | HPGD (0.32) | — | |
| SCHEMBL11170092 | 0.72 | CHRM1 (0.37) | — | |
| SCHEMBL11160179 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL11158585 | 0.70 | KMO (0.40) | — | |
| SCHEMBL11163319 | 0.69 | MAPT (0.36) | — | |
| SCHEMBL11167827 | 0.68 | CYP3A4 (0.45) | — | |
| SCHEMBL11166835 | 0.67 | CYP1A2 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |