⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL985625 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL317547 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL987158 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL76364 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL863207 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL863289 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL987686 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL863208 | 0.82 | EPHX2 (0.33) | — | |
| SCHEMBL2993042 | 0.81 | — | — | |
| SCHEMBL10819605 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0452680-A1 | Substituted purines, process for their preparation and their use as antiviral agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-23 | — | — | EP | disclosed |
| US-4225706-A | Polychalcogen ester of cephem compound, process for preparing the same and method for removing the protective group of the same | MEIJI SEIKA KAISHA LTD. (JP) | 1980-09-30 | — | — | US | disclosed |