⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7158581 | 0.83 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7155104 | 0.71 | — | — | |
| SCHEMBL13656879 | 0.67 | GABBR2 (0.44) | — | |
| SCHEMBL7155129 | 0.67 | GABBR2 (0.44) | — | |
| SCHEMBL226090 | 0.66 | ALDH1A1 (0.58) | — | |
| SCHEMBL7159675 | 0.66 | GABBR2 (0.34) | — | |
| SCHEMBL7158271 | 0.64 | CA1 (0.44) | — | |
| SCHEMBL9356050 | 0.63 | NR3C1 (0.33) | — | |
| SCHEMBL11795650 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL3460326 | 0.62 | SELL (0.48) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6533825-B2 | For colouring/pigmenting high-molecular-weight organic material | CIBA SPECIALTY CHEMICALS CORPORATION | 2003-03-18 | — | — | US | disclosed |
| US-20020095046-A1 | Dibenzonaphthyrones | NESVADBA PETER (CH) | 2002-07-18 | — | — | US | disclosed |
| EP-1015518-B1 | ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF | CIBA SC HOLDING AG (CH) | 2002-05-15 | — | — | EP | disclosed |
| US-6323267-B1 | MIXING HIGH MOLECULAR WEIGHT ORGANIC OR INORGANIC MATERIAL WITH ISOXINDIGO COMPOUND | CIBA SPECIALTY CHEMICALS CORP. | 2001-11-27 | — | — | US | disclosed |
| US-6281361-B1 | COLORING, PIGMENTING | CIBA SPECIALTY CHEMICALS CORP. | 2001-08-28 | — | — | US | disclosed |
| EP-1095041-A2 | DIBENZONAPHTHYRONES AND THEIR USE FOR COLOURING/PIGMENTING HIGH-MOLECULAR-WEIGHT ORGANIC MATERIAL | Ciba SC Holding AG (CH) | 2001-05-02 | — | — | EP | disclosed |
| EP-1015518-A1 | ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF | Ciba SC Holding AG (CH) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999052909-A2 | DIBENZONAPHTHYRONES AND THEIR USE FOR COLOURING/PIGMENTING HIGH-MOLECULAR-WEIGHT ORGANIC MATERIAL | CIBA SPECIALTY CHEMICAL HOLDING INC. (CH) | 1999-10-21 | — | — | WO | disclosed |
| WO-1999013007-A1 | ISOXINDIGOS USEFUL AS COLORANTS AND PREPARATION THEREOF | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1999-03-18 | — | — | WO | disclosed |