⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6566822 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL6565719 | 0.97 | ALDH1A1 (0.38) | — | |
| SCHEMBL455723 | 0.85 | TP53 (0.31) | — | |
| SCHEMBL11078635 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL8617456 | 0.79 | CA2 (0.36) | — | |
| Dimethylamine SCHEMBL9542068 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL9736798 | 0.77 | MEN1 (0.52) | — | |
| SCHEMBL11075439 | 0.77 | — | — | |
| SCHEMBL19970453 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL22247 | 0.74 | — | — |
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-0854177-B1 | Ink compositions | XEROX CORP (US) | 2004-03-31 | — | — | EP | claimed |
| EP-1108765-A2 | Hydrophobisation with carboxyl group containing polysiloxanes | BAYER AG (DE) | 2001-06-20 | — | — | EP | disclosed |