⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134292 | 0.83 | NAAA (0.31) | — | |
| SCHEMBL27458764 | 0.80 | — | — | |
| SCHEMBL8983679 | 0.77 | NAAA (0.36) | — | |
| SCHEMBL643585 | 0.77 | — | — | |
| SCHEMBL21519848 | 0.76 | — | — | |
| SCHEMBL7995745 | 0.71 | — | — | |
| SCHEMBL5679291 | 0.70 | — | — | |
| SCHEMBL6827640 | 0.69 | — | — | |
| SCHEMBL28180510 | 0.69 | — | — | |
| SCHEMBL25176250 | 0.69 | — | — |
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-1879945-B1 | USE OF SOLID PIGMENT PREPARATIONS FOR DYEING COMPOSITE CELLULOSE/POLYMER MATERIALS | BASF SE (DE) | 2009-08-05 | — | — | EP | disclosed |