⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9539561 | 0.90 | AGTR1 (0.44) | — | |
| SCHEMBL9845997 | 0.90 | — | — | |
| SCHEMBL9846023 | 0.90 | — | — | |
| SCHEMBL9846055 | 0.90 | AGTR1 (0.42) | — | |
| SCHEMBL9846036 | 0.89 | GP6 (0.41) | — | |
| SCHEMBL9846058 | 0.89 | — | — | |
| SCHEMBL9846060 | 0.89 | — | — | |
| SCHEMBL9846044 | 0.87 | — | — | |
| SCHEMBL9846053 | 0.87 | — | — | |
| SCHEMBL9846067 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3133964-A | — | — | None | — | — | JP | disclosed |
| JP-H03133964-A | PYRIMIDINE DERIVATIVE | CIBA GEIGY AG | 1991-06-07 | — | — | JP | disclosed |
| EP-0424317-A2 | Pyrimidines | CIBA-GEIGY AG (CH) | 1991-04-24 | — | — | EP | disclosed |