⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11667826 | 0.69 | — | — | |
| SCHEMBL2839857 | 0.67 | — | — | |
| SCHEMBL2839859 | 0.67 | — | — | |
| SCHEMBL22104 | 0.67 | — | — | |
| SCHEMBL1360009 | 0.67 | — | — | |
| SCHEMBL3798098 | 0.64 | — | — | |
| Hydrogen Sulfide SCHEMBL6714329 | 0.64 | — | — | |
| SCHEMBL3078228 | 0.61 | — | — | |
| SCHEMBL658732 | 0.61 | — | — | |
| SCHEMBL11120469 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2108406-A1 | Anionic dyes and hair dye compositions containing them | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 2009-10-14 | — | — | EP | claimed |
| US-9635857-B2 | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-05-02 | — | — | US | disclosed |
| US-20160235065-A1 | TETRAZOLINONE COMPOUND AND USE THEREOF | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-08-18 | — | — | US | disclosed |
| WO-2009124872-A2 | ANIONIC DYES AND HAIR DYE COMPOSITIONS CONTAINING THEM | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2009-10-15 | — | — | WO | disclosed |
| EP-2108406-A1 | Anionic dyes and hair dye compositions containing them | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 2009-10-14 | — | — | EP | disclosed |
| EP-0309424-A2 | New amidino derivatives | ISTITUTO DE ANGELI S.p.A. (IT) | 1989-03-29 | — | — | EP | disclosed |