⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11448540 | 0.84 | — | — | |
| SCHEMBL486583 | 0.75 | CASP1 (0.46) | — | |
| SCHEMBL369674 | 0.75 | CASP1 (0.40) | — | |
| SCHEMBL2876448 | 0.68 | — | — | |
| SCHEMBL7590048 | 0.67 | ADORA2A (0.36) | — | |
| SCHEMBL27875835 | 0.67 | CASP1 (0.33) | — | |
| SCHEMBL456737 | 0.66 | ALDH1A1 (0.33) | — | |
| Phosphoric Acid SCHEMBL27849514 | 0.65 | CYP1A2 (0.36) | — | |
| SCHEMBL11342873 | 0.63 | HTR6 (0.43) | — | |
| SCHEMBL10886277 | 0.63 | GAA (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1913091-B1 | AZO COMPOUNDS | FUJIFILM IMAGING COLORANTS LTD (GB) | 2009-04-22 | — | — | EP | disclosed |