⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL485759 | 0.78 | — | — | |
| SCHEMBL8380589 | 0.70 | — | — | |
| SCHEMBL13700607 | 0.68 | — | — | |
| SCHEMBL8380363 | 0.68 | — | — | |
| SCHEMBL4060484 | 0.67 | — | — | |
| SCHEMBL4429853 | 0.67 | — | — | |
| SCHEMBL4440338 | 0.67 | — | — | |
| SCHEMBL17748940 | 0.63 | SLC6A2 (0.40) | — | |
| SCHEMBL1461457 | 0.63 | — | — | |
| SCHEMBL3113073 | 0.61 | — | — |
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-0682663-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | PHARMACIA & UPJOHN COMPANY (US) | 1995-11-22 | — | — | EP | disclosed |
| WO-1994018188-A1 | 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS | THE UPJOHN COMPANY (US) | 1994-08-18 | — | — | WO | disclosed |