⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9938699 | 0.65 | ALDH1A1 (0.38) | — | |
| SCHEMBL2971300 | 0.56 | — | — | |
| SCHEMBL987398 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL28611031 | 0.55 | — | — | |
| SCHEMBL28640675 | 0.55 | — | — | |
| SCHEMBL4721785 | 0.54 | — | — | |
| SCHEMBL2830662 | 0.54 | ALDH1A1 (0.35) | — | |
| Benzene SCHEMBL28361762 | 0.53 | — | — | |
| SCHEMBL10781014 | 0.51 | ALOX15 (0.33) | — | |
| SCHEMBL11625773 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007144379-A1 | BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS | MEDIVIR AB (SE) | 2007-12-21 | — | — | WO | disclosed |
| JP-2004307792-A | PYRROLOFURANON COMPOUND | YAMADA CHEM CO LTD | 2004-11-04 | — | — | JP | disclosed |