⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128581 | 0.81 | — | — | |
| SCHEMBL128254 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL11779908 | 0.76 | FAAH (0.38) | — | |
| SCHEMBL2131973 | 0.76 | — | — | |
| SCHEMBL10877359 | 0.76 | — | — | |
| SCHEMBL6636355 | 0.76 | — | — | |
| SCHEMBL2984658 | 0.76 | MGAM (0.46) | — | |
| SCHEMBL9517691 | 0.74 | — | — | |
| SCHEMBL126712 | 0.73 | — | — | |
| SCHEMBL8957485 | 0.71 | — | — |
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-4211696-A | Disperse monoazo dyestuffs derived from 3,5-dinitro-2-amino thiophene as disazo component and an arylamine coupling component | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-07-08 | — | — | US | disclosed |