⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3419773 | 0.76 | HTT (0.32) | — | |
| SCHEMBL7565364 | 0.65 | — | — | |
| SCHEMBL21101217 | 0.65 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL22739145 | 0.62 | TOP2A (0.31) | — | |
| SCHEMBL2887796 | 0.62 | — | — | |
| SCHEMBL21101464 | 0.61 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL11570091 | 0.60 | — | — | |
| SCHEMBL14874449 | 0.60 | — | — | |
| SCHEMBL14671057 | 0.59 | TOP2A (0.30) | — | |
| SCHEMBL24518173 | 0.59 | TSHR (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0014456-B1 | HEXAHYDROPYRIMIDIN-(4)-YL-ETHERS AND PROCESS FOR THEIR PREPARATION | BASF Aktiengesellschaft (DE) | 1982-06-23 | — | — | EP | disclosed |
| US-4262121-A | STARTING MATERIALS FOR PREPARATION OF DYES AND PESTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1981-04-14 | — | — | US | disclosed |
| EP-0014456-A1 | Hexahydropyrimidin-(4)-yl-ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1980-08-20 | — | — | EP | disclosed |
| EP-0008345-A1 | Hexahydropyrimidyl-4 ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1980-03-05 | — | — | EP | disclosed |
| EP-0004608-A1 | 4-Acylamido-hexahydropyrimidines, and process for their preparation | BASF Aktiengesellschaft (DE) | 1979-10-17 | — | — | EP | disclosed |