⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1472856 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL8086345 | 0.78 | — | — | |
| SCHEMBL837767 | 0.74 | — | — | |
| SCHEMBL7214781 | 0.74 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL4029442 | 0.72 | LMNA (0.48) | — | |
| SCHEMBL7059111 | 0.72 | LMNA (0.48) | — | |
| SCHEMBL21359697 | 0.71 | — | — | |
| SCHEMBL1710460 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL27094757 | 0.68 | — | — | |
| SCHEMBL9224609 | 0.67 | — | — |
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-0954558-B1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 2006-06-14 | — | — | EP | disclosed |
| US-20050044778-A1 | Fuel compositions employing catalyst combustion structure | OCTANE INTERNATIONAL, LTD. | 2005-03-03 | — | — | US | disclosed |
| US-6652608-B1 | Fuel compositions exhibiting improved fuel stability | OCTANE INTERNATIONAL, LTD. | 2003-11-25 | — | — | US | disclosed |