⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4639026 | 0.75 | — | — | |
| SCHEMBL3062385 | 0.75 | — | — | |
| SCHEMBL3319954 | 0.71 | — | — | |
| SCHEMBL15528571 | 0.71 | — | — | |
| SCHEMBL11314107 | 0.71 | — | — | |
| SCHEMBL11458541 | 0.71 | — | — | |
| SCHEMBL11455637 | 0.71 | — | — | |
| Bromide SCHEMBL11455969 | 0.70 | HSP90AA1 (0.33) | — | |
| SCHEMBL11302980 | 0.70 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL11705113 | 0.70 | CYP3A4 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080142759-A1 | Pyridine N-Oxide Based Azo Dyes And Their Metal Complexes For Use In Optical Layers For Optical Data Recording | CLARIANT FINANCE (BVI) LIMITED (VG) | 2008-06-19 | — | — | US | disclosed |
| EP-1825467-A2 | PYRIDINE N-OXIDE BASED AZO DYES AND THEIR METAL COMPLEXES FOR USE IN OPTICAL LAYERS FOR OPTICAL DATA RECORDING | Clariant International Ltd. (CH) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006061398-A2 | PYRIDINE N-OXIDE BASED AZO DYES AND THEIR METAL COMPLEXES FOR USE IN OPTICAL LAYERS FOR OPTICAL DATA RECORDING | CLARIANT INTERNATIONAL LTD (CH) | 2006-06-15 | — | — | WO | disclosed |
| JP-2002205926-A | HAIR DYE COMPOSITION | KAO CORP | 2002-07-23 | — | — | JP | disclosed |