⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1020575 | 0.77 | TLR4 (0.34) | — | |
| SCHEMBL11692675 | 0.75 | — | — | |
| SCHEMBL11693590 | 0.73 | — | — | |
| SCHEMBL11690218 | 0.72 | — | — | |
| SCHEMBL11691613 | 0.72 | RIPK1 (0.33) | — | |
| SCHEMBL11693132 | 0.70 | — | — | |
| SCHEMBL11688367 | 0.69 | ALOX15 (0.42) | — | |
| SCHEMBL11694664 | 0.69 | — | — | |
| SCHEMBL11694830 | 0.67 | — | — | |
| SCHEMBL11688765 | 0.66 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4006188-A | Cycloalkenones | ZOECON CORPORATION (US) | 1977-02-01 | — | — | US | disclosed |
| US-4000174-A | NOVEL COMPOUNDS | ZOECON CORPORATION (US) | 1976-12-28 | — | — | US | disclosed |