⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7447084 | 0.96 | — | — | |
| SCHEMBL7445667 | 0.95 | ALDH1A1 (0.31) | — | |
| SCHEMBL7434821 | 0.89 | CYP2C9 (0.31) | — | |
| SCHEMBL7476430 | 0.86 | ICMT (0.36) | — | |
| SCHEMBL7477368 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL7440421 | 0.85 | CYP2C9 (0.31) | — | |
| SCHEMBL9202165 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL7441162 | 0.83 | CYP2C9 (0.30) | — | |
| SCHEMBL6176061 | 0.83 | CYP2C9 (0.39) | — | |
| SCHEMBL9195788 | 0.83 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0668860-B1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | UPJOHN CO (US) | 2002-09-11 | — | — | EP | claimed |
| EP-0668860-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-30 | — | — | EP | claimed |
| WO-1994011361-A1 | PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | THE UPJOHN COMPANY (US) | 1994-05-26 | — | — | WO | claimed |
| EP-1203770-A1 | Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases | PHARMACIA & UPJOHN COMPANY (US) | 2002-05-08 | — | — | EP | disclosed |