⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1316573 | 0.60 | NOS1 (0.40) | — | |
| SCHEMBL16041282 | 0.51 | — | — | |
| SCHEMBL16401495 | 0.46 | MEN1 (0.31) | — | |
| SCHEMBL2455005 | 0.43 | — | — | |
| SCHEMBL3043 | 0.43 | — | — | |
| SCHEMBL2398125 | 0.43 | BRD4 (0.43) | — | |
| SCHEMBL1599923 | 0.41 | — | — | |
| SCHEMBL29525411 | 0.40 | KDM4E (0.40) | — | |
| SCHEMBL29525891 | 0.40 | KDM4E (0.40) | — | |
| SCHEMBL2139113 | 0.37 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007121853-A2 | LIGHTENING AND/OR COLOURING AGENTS COMPRISING N,N'-OXALYLDIAZOLES AND/OR OXIMIDYLDIAZOLES | HENKEL AG & CO. KGAA (DE) | 2007-11-01 | — | — | WO | claimed |
| WO-2007121853-A2 | LIGHTENING AND/OR COLOURING AGENTS COMPRISING N,N'-OXALYLDIAZOLES AND/OR OXIMIDYLDIAZOLES | HENKEL AG & CO. KGAA (DE) | 2007-11-01 | — | — | WO | disclosed |