⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6851767 | 0.83 | — | — | |
| SCHEMBL8153459 | 0.78 | — | — | |
| SCHEMBL724849 | 0.73 | POLB (0.36) | — | |
| SCHEMBL3208067 | 0.70 | CES1 (0.52) | — | |
| SCHEMBL2519828 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL19712262 | 0.69 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL1144370 | 0.69 | ATM (0.39) | — | |
| Crotonic Acid SCHEMBL27984413 | 0.69 | HCAR2 (0.37) | — | |
| SCHEMBL28118898 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL28071841 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0996668-B1 | THERMOSETTING AQUEOUS COMPOSITIONS | BASF AG (DE) | 2004-10-13 | — | — | EP | disclosed |