⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5241167 | 0.80 | ALOX5 (0.31) | — | |
| SCHEMBL272229 | 0.78 | — | — | |
| SCHEMBL11697489 | 0.70 | — | — | |
| SCHEMBL19691908 | 0.65 | ALOX5 (0.55) | — | |
| SCHEMBL19692314 | 0.65 | ALOX5 (0.55) | — | |
| SCHEMBL1476747 | 0.65 | ALOX5 (0.55) | — | |
| SCHEMBL11248853 | 0.65 | ALOX5 (0.41) | — | |
| SCHEMBL1611049 | 0.65 | ALOX5 (0.55) | — | |
| SCHEMBL1476715 | 0.65 | ALOX5 (0.55) | — | |
| SCHEMBL9254048 | 0.63 | — | — |
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-5762652-A | COLOR MIXTURES COMPRISING A TRIAZINE DYES AND AN AZO DYES OR A BENZOTRIAZOLE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-09 | — | — | US | disclosed |