⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14468781 | 0.93 | FUT8 (0.31) | — | |
| SCHEMBL14468780 | 0.91 | — | — | |
| SCHEMBL14468747 | 0.77 | FUT8 (0.37) | — | |
| SCHEMBL12172868 | 0.74 | CHAT (0.34) | — | |
| SCHEMBL12172883 | 0.73 | HPGDS (0.40) | — | |
| SCHEMBL14468779 | 0.73 | CA12 (0.34) | — | |
| SCHEMBL21284462 | 0.70 | HPGDS (0.34) | — | |
| SCHEMBL12974380 | 0.70 | CHAT (0.32) | — | |
| SCHEMBL14468962 | 0.69 | KCNH3 (0.31) | — | |
| SCHEMBL22861896 | 0.68 | HPGDS (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007077129-A2 | REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE | HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) | 2007-07-12 | — | — | WO | disclosed |