⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7404305 | 0.89 | CBLB (0.32) | — | |
| SCHEMBL7401181 | 0.88 | HTR6 (0.39) | — | |
| SCHEMBL7403251 | 0.88 | SMYD3 (0.33) | — | |
| SCHEMBL7405573 | 0.88 | CBLB (0.33) | — | |
| SCHEMBL7403232 | 0.86 | MMP2 (0.31) | — | |
| SCHEMBL7399612 | 0.84 | ITGB3 (0.31) | — | |
| SCHEMBL7403256 | 0.84 | F10 (0.32) | — | |
| SCHEMBL7402158 | 0.83 | KDM4E (0.37) | — | |
| SCHEMBL7401224 | 0.83 | CBLB (0.36) | — | |
| SCHEMBL7403965 | 0.82 | ALDH1A1 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210246125-A1 | PYRANONE COMPOUNDS USEFUL TO MODULATE OMA1 PROTEASE | 712 NORTH INC. | 2021-08-12 | — | — | US | claimed |
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | claimed |
| EP-0758327-A1 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1997-02-19 | — | — | EP | claimed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | claimed |
| US-6169181-B1 | HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS | PHARMACIA & UPJOHN COMPANY | 2001-01-02 | — | — | US | disclosed |
| US-5852195-A | Pyranone compounds useful to treat retroviral infections | PHARMACIA & UPJOHN COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| WO-1995030670-A2 | PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |