⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31128745 | 0.81 | — | — | |
| SCHEMBL9195093 | 0.81 | BACE1 (0.31) | — | |
| SCHEMBL152294 | 0.81 | — | — | |
| Phosphine SCHEMBL8190663 | 0.78 | — | — | |
| SCHEMBL31254070 | 0.78 | — | — | |
| Water SCHEMBL28475776 | 0.75 | — | — | |
| SCHEMBL8065409 | 0.75 | L3MBTL1 (0.33) | — | |
| Catechol SCHEMBL1369477 | 0.72 | ALDH1A1 (0.53) | — | |
| 2-Mercaptopyrimidine SCHEMBL29277756 | 0.68 | HSP90AA1 (0.31) | — | |
| SCHEMBL22163937 | 0.67 | MEN1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0807106-B1 | PROCESS FOR PREPARING 4,6-DICHLORO-PYRIMIDINE | SYNGENTA LTD (GB) | 2001-10-17 | — | — | EP | claimed |