⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19362333 | 0.77 | — | — | |
| SCHEMBL15980330 | 0.65 | NPC1 (0.31) | — | |
| SCHEMBL15980329 | 0.65 | PDK1 (0.31) | — | |
| SCHEMBL16383563 | 0.64 | — | — | |
| SCHEMBL24073702 | 0.61 | — | — | |
| SCHEMBL20366894 | 0.60 | — | — | |
| SCHEMBL13816403 | 0.58 | — | — | |
| SCHEMBL17339853 | 0.57 | NPC1 (0.38) | — | |
| SCHEMBL20124299 | 0.57 | — | — | |
| SCHEMBL23442730 | 0.55 | — | — |
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-3296363-A1 | AZO DYES | Kemira Oyj (FI) | 2018-03-21 | — | — | EP | disclosed |
| EP-3296362-A1 | AZO DYES | Kemira Oyj (FI) | 2018-03-21 | — | — | EP | disclosed |
| WO-2012072634-A1 | AZO DYES | KEMIRA OYJ (FI) | 2012-06-07 | — | — | WO | disclosed |