⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7078065 | 0.84 | WRN (0.36) | — | |
| SCHEMBL6297136 | 0.82 | HTR1A (0.30) | — | |
| SCHEMBL6302130 | 0.80 | OPRM1 (0.32) | — | |
| SCHEMBL6301600 | 0.80 | KDM4E (0.34) | — | |
| SCHEMBL7167192 | 0.78 | PPIB (0.34) | — | |
| SCHEMBL7081429 | 0.78 | TRPM8 (0.45) | — | |
| SCHEMBL6295960 | 0.77 | GLI1 (0.32) | — | |
| SCHEMBL7078899 | 0.76 | WRN (0.34) | — | |
| SCHEMBL6297070 | 0.73 | CALM1 (0.37) | — | |
| SCHEMBL6297393 | 0.72 | OPRD1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030171425-A1 | HIV protease inhibitors | BOYER FREDERICK EARL (US) | 2003-09-11 | — | — | US | claimed |
| US-6512006-B1 | Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties | WARNER-LAMBERT COMPANY | 2003-01-28 | — | — | US | claimed |