⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12053250 | 0.86 | — | — | |
| SCHEMBL12053228 | 0.85 | KDM4E (0.30) | — | |
| SCHEMBL13340880 | 0.84 | — | — | |
| SCHEMBL12053201 | 0.84 | ENPP2 (0.31) | — | |
| SCHEMBL14362755 | 0.83 | ENPP2 (0.30) | — | |
| SCHEMBL6747988 | 0.79 | CA12 (0.36) | — | |
| SCHEMBL12053265 | 0.78 | ENPP2 (0.33) | — | |
| SCHEMBL13340651 | 0.78 | ENPP2 (0.33) | — | |
| SCHEMBL13340871 | 0.77 | THRB (0.34) | — | |
| SCHEMBL12053283 | 0.76 | — | — |
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 |