⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31281467 | 0.79 | CA12 (0.58) | — | |
| SCHEMBL31123642 | 0.79 | HSD17B10 (0.58) | — | |
| SCHEMBL30183570 | 0.79 | HSD17B10 (0.58) | — | |
| SCHEMBL2239504 | 0.79 | CA12 (0.58) | — | |
| SCHEMBL145253 | 0.79 | HSD17B10 (0.58) | — | |
| SCHEMBL7188199 | 0.75 | — | — | |
| SCHEMBL8138438 | 0.75 | — | — | |
| SCHEMBL7188832 | 0.75 | — | — | |
| SCHEMBL9985105 | 0.75 | — | — | |
| SCHEMBL30357035 | 0.75 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4698338-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1987-10-06 | — | — | US | disclosed |
| EP-0233780-A2 | O-substituted oximino cephalosporins | ELI LILLY AND COMPANY (US) | 1987-08-26 | — | — | EP | disclosed |
| EP-0095836-B1 | AZA-FUROCHROMONES | THE UPJOHN COMPANY (US) | 1986-08-13 | — | — | EP | disclosed |
| EP-0099172-B1 | 6,7-DIHYDRO-7,7-DISUBSTITUTED-KHELLINS | THE UPJOHN COMPANY (US) | 1986-08-06 | — | — | EP | disclosed |
| US-4434295-A | Anti-atherosclerotic 6,7-dihydro-7,7-disubstituted-khellin analogs | THE UPJOHN COMPANY (US) | 1984-02-28 | — | — | US | disclosed |
| EP-0099172-A1 | 6,7-Dihydro-7,7-disubstituted-khellins | THE UPJOHN COMPANY (US) | 1984-01-25 | — | — | EP | disclosed |
| EP-0095836-A1 | Aza-furochromones | THE UPJOHN COMPANY (US) | 1983-12-07 | — | — | EP | disclosed |
| US-4412071-A | Antiatherosclerotic compositions | THE UPJOHN COMPANY (US) | 1983-10-25 | — | — | US | disclosed |