⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13038543 | 0.86 | ALDH1A1 (0.39) | — | |
| SCHEMBL18710409 | 0.85 | — | — | |
| SCHEMBL30631572 | 0.81 | — | — | |
| SCHEMBL11652123 | 0.78 | ALOX15 (0.45) | — | |
| SCHEMBL8531998 | 0.78 | HSD17B10 (0.32) | — | |
| SCHEMBL11715922 | 0.78 | LSS (0.32) | — | |
| SCHEMBL3070404 | 0.75 | — | — | |
| SCHEMBL23924259 | 0.75 | — | — | |
| SCHEMBL18904221 | 0.75 | — | — | |
| SCHEMBL12934559 | 0.75 | ALDH1A1 (0.44) | — |
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-2367618-A1 | MICROSPHERES | Akzo Nobel N.V. (NL) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010072663-A1 | MICROSPHERES | AKZO NOBEL N.V. (NL) | 2010-07-01 | — | — | WO | disclosed |