⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL1303685 | 0.98 | — | — | |
| SCHEMBL8573556 | 0.83 | — | — | |
| Pimagedine SCHEMBL980396 | 0.80 | — | — | |
| Guanidine SCHEMBL981791 | 0.80 | — | — | |
| Guanidine SCHEMBL981793 | 0.80 | — | — | |
| SCHEMBL1010881 | 0.73 | — | — | |
| SCHEMBL7631470 | 0.71 | — | — | |
| SCHEMBL1172811 | 0.71 | — | — | |
| SCHEMBL12333924 | 0.71 | — | — | |
| SCHEMBL47243 | 0.69 | — | — |
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-1993978-B1 | IGNITION COMPOSITION AND APPLICATIONS | FRANCE CHEDDITE (FR) | 2010-10-20 | — | — | EP | disclosed |
| EP-1993978-A1 | IGNITION COMPOSITION AND APPLICATIONS | Cheddite France (FR) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007096529-A1 | IGNITION COMPOSITION AND APPLICATIONS | CHEDDITE FRANCE (FR) | 2007-08-30 | — | — | WO | disclosed |