⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13604248 | 0.95 | CA12 (0.31) | — | |
| SCHEMBL13604260 | 0.91 | CHAT (0.36) | — | |
| SCHEMBL16389050 | 0.80 | FUT8 (0.44) | — | |
| SCHEMBL13483285 | 0.80 | FUT8 (0.42) | — | |
| SCHEMBL13482730 | 0.78 | CA12 (0.30) | — | |
| SCHEMBL13482731 | 0.77 | ENPP2 (0.32) | — | |
| SCHEMBL14004226 | 0.77 | CA1 (0.39) | — | |
| SCHEMBL13483284 | 0.76 | ENPP2 (0.48) | — | |
| SCHEMBL13604267 | 0.75 | FUT8 (0.31) | — | |
| SCHEMBL12053285 | 0.75 | FUT8 (0.36) | — |
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-20090320217-A1 | MIXTURES OF FIBRE-REACTIVE AZO DYES | DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2009-12-31 | — | — | US | disclosed |