⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20005032 | 0.73 | — | — | |
| SCHEMBL19337403 | 0.71 | — | — | |
| SCHEMBL14036646 | 0.71 | — | — | |
| SCHEMBL14161152 | 0.70 | — | — | |
| SCHEMBL19575608 | 0.67 | — | — | |
| Alpha-Phellandrene SCHEMBL159518 | 0.65 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL159519 | 0.65 | USP2 (0.32) | — | |
| Alpha-Phellandrene SCHEMBL22497679 | 0.65 | USP2 (0.32) | — | |
| SCHEMBL11981528 | 0.64 | — | — | |
| Alpha-Phellandrene SCHEMBL19816252 | 0.64 | USP2 (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-0729463-B1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2002-05-22 | — | — | EP | claimed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |
| WO-2012104569-A1 | COMPOSITION OF MONOTERPENOIDS FOR THE TREATMENT OF CANCER | GILHOLM, Stephen, Philip (GB) | 2012-08-09 | — | — | WO | disclosed |
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |