⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25207526 | 0.93 | — | — | |
| SCHEMBL301586 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL11301061 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9062955 | 0.73 | — | — | |
| SCHEMBL3887222 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL5073944 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL22961002 | 0.69 | — | — | |
| SCHEMBL13577731 | 0.67 | — | — | |
| SCHEMBL29253437 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL18651756 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0954558-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR, William C. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1998026028-A1 | FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY | ORR WILLIAM C (US) | 1998-06-18 | — | — | WO | disclosed |