⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7675924 | 0.77 | — | — | |
| SCHEMBL261917 | 0.73 | — | — | |
| SCHEMBL7480554 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL641996 | 0.70 | — | — | |
| Methane SCHEMBL8125715 | 0.70 | — | — | |
| SCHEMBL28018347 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL28180661 | 0.67 | — | — | |
| SCHEMBL24823181 | 0.65 | — | — | |
| SCHEMBL17066766 | 0.65 | — | — | |
| Ethane SCHEMBL22468221 | 0.65 | — | — |
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 8 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 | claimed |
| EP-2934551-B1 | POST-SYNTHETIC ORTHOGONAL AMIDATION PLUS METAL CATALYZED AZIDE-ALKYNE CYCLOADDITION CLICK CHEMISTRY ON SI-RNA | SIRNA THERAPEUTICS INC (US) | 2017-11-29 | — | — | EP | disclosed |
| WO-2014100069-A1 | POST-SYNTHETIC ORTHOGONAL AMIDATION PLUS METAL CATALYZED AZIDE-ALKYNE CYCLOADDITION CLICK CHEMISTRY ON siRNA | MERCK SHARP & DOHME CORP. (US) | 2014-06-26 | — | — | WO | disclosed |
| EP-0005162-B1 | PROCESS FOR PREPARING 5,5-DISUBSTITUTED 4-CARBAMIDO-HEXAHYDROPYRIMIDINES | BASF Aktiengesellschaft (DE) | 1981-12-30 | — | — | 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-0014456-A1 | Hexahydropyrimidin-(4)-yl-ethers and process for their preparation | BASF Aktiengesellschaft (DE) | 1980-08-20 | — | — | EP | disclosed |
| EP-0005162-A1 | Process for preparing 5,5-disubstituted 4-carbamido-hexahydropyrimidines | BASF Aktiengesellschaft (DE) | 1979-11-14 | — | — | EP | disclosed |