⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3848088 | 0.77 | MAOA (0.33) | — | |
| SCHEMBL8724048 | 0.77 | MAOA (0.33) | — | |
| SCHEMBL3848110 | 0.76 | — | — | |
| Acetonitrile SCHEMBL5268766 | 0.64 | — | — | |
| SCHEMBL7024076 | 0.64 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL5268761 | 0.64 | — | — | |
| SCHEMBL516496 | 0.63 | ALDH1A1 (0.30) | — | |
| SCHEMBL22227745 | 0.62 | — | — | |
| SCHEMBL30021884 | 0.62 | ALDH1A1 (0.38) | — | |
| Acetonitrile SCHEMBL8980096 | 0.62 | — | — |
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-1461402-B8 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL & ASSOCIATES LLC (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-1461402-A4 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL ROBERT W (US) | 2006-07-12 | — | — | EP | disclosed |
| EP-1461402-A1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | Carroll, Robert W. (US) | 2004-09-29 | — | — | EP | disclosed |
| WO-2003040269-A1 | METHOD AND COMPOSITION FOR IMPROVING FUEL COMBUSTION | CARROLL ROBERT W (US) | 2003-05-15 | — | — | WO | disclosed |