⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6954004 | 0.76 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL6966327 | 0.73 | — | — | |
| SCHEMBL6954761 | 0.73 | — | — | |
| SCHEMBL6965574 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL6953958 | 0.68 | ABCB1 (0.38) | — | |
| SCHEMBL7409285 | 0.68 | ABCB1 (0.39) | — | |
| SCHEMBL6954417 | 0.66 | MEN1 (0.30) | — | |
| SCHEMBL6954754 | 0.63 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL6963486 | 0.62 | ABCB1 (0.38) | — | |
| SCHEMBL6956690 | 0.62 | SMN1; SMN2 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729465-B1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6005103-A | TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS | WARNER-LAMBERT COMPANY (US) | 1999-12-21 | — | — | US | disclosed |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | disclosed |