⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16378057 | 0.88 | — | — | |
| SCHEMBL10332136 | 0.81 | HPGD (0.31) | — | |
| SCHEMBL12414819 | 0.80 | — | — | |
| SCHEMBL14780846 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL9974629 | 0.77 | KMT2A (0.31) | — | |
| SCHEMBL12506517 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL10453725 | 0.75 | — | — | |
| SCHEMBL14765508 | 0.74 | KMT2A (0.34) | — | |
| SCHEMBL16328855 | 0.73 | KMT2A (0.32) | — | |
| SCHEMBL9974625 | 0.71 | KMT2A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8399545-B2 | Azo pigment-containing aqueous ink for inkjet recording | FUJIFILM CORPORATION (JP) | 2013-03-19 | — | — | US | disclosed |