⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17835446 | 0.77 | — | — | |
| SCHEMBL1361208 | 0.75 | — | — | |
| SCHEMBL1816433 | 0.69 | — | — | |
| SCHEMBL8168461 | 0.68 | — | — | |
| SCHEMBL10756272 | 0.62 | MAPK1 (0.50) | — | |
| SCHEMBL28123477 | 0.59 | MEN1 (0.46) | — | |
| SCHEMBL27981854 | 0.59 | MEN1 (0.46) | — | |
| SCHEMBL9115923 | 0.59 | MEN1 (0.46) | — | |
| SCHEMBL6442707 | 0.58 | MEN1 (0.39) | — | |
| SCHEMBL9735297 | 0.57 | KHK (0.32) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0576123-B1 | Watersoluble triphenodioxazine dye | AVECIA LTD (GB) | 2000-03-01 | — | — | EP | disclosed |
| US-5498712-A | Triphenodioxazine dyes | ZENECA LIMITED (GB) | 1996-03-12 | — | — | US | disclosed |
| WO-1995021893-A1 | AZO DYES | ZENECA LIMITED (GB) | 1995-08-17 | — | — | WO | disclosed |
| EP-0356014-B1 | Reactive Dyes | ZENECA LTD (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1994010345-A1 | SKIN TREATMENT | ZENECA LIMITED (GB) | 1994-05-11 | — | — | WO | disclosed |
| EP-0576123-A1 | Watersoluble triphenodioxazine dye | ZENECA LIMITED (GB) | 1993-12-29 | — | — | EP | disclosed |
| US-5189162-A | Colorfast bright dyes for cellulose materials | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-23 | — | — | US | disclosed |
| US-5171852-A | Dye cellulose textiles bright reddish blue shades | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-12-15 | — | — | US | disclosed |
| US-5126450-A | Reactive dyes; blue shades on cotton | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-30 | — | — | US | disclosed |
| EP-0279122-B1 | REACTIVE DYES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-06-10 | — | — | EP | disclosed |
| EP-0437920-A1 | Reactive dyes | ZENECA LIMITED (GB) | 1991-07-24 | — | — | EP | disclosed |
| EP-0432879-A1 | Reactive dyes | ZENECA LIMITED (GB) | 1991-06-19 | — | — | EP | disclosed |
| US-5019134-A | Triphenodioxazines | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-05-28 | — | — | US | disclosed |
| EP-0356014-A1 | Reactive Dyes | ZENECA LIMITED (GB) | 1990-02-28 | — | — | EP | disclosed |
| EP-0279122-A2 | Reactive dyes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-24 | — | — | EP | disclosed |
| EP-0138303-A1 | Naphthalene sulphonic acids | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-04-24 | — | — | EP | disclosed |