⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8581211 | 0.72 | — | — | |
| SCHEMBL5635013 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL4048252 | 0.69 | — | — | |
| SCHEMBL8635860 | 0.67 | CYP1A2 (0.30) | — | |
| SCHEMBL10744210 | 0.65 | — | — | |
| SCHEMBL8800638 | 0.65 | PDE10A (0.31) | — | |
| SCHEMBL2088817 | 0.64 | KEAP1 (0.32) | — | |
| SCHEMBL9194408 | 0.64 | CYP1A2 (0.42) | — | |
| SCHEMBL10620477 | 0.61 | — | — | |
| SCHEMBL7028015 | 0.61 | MEN1 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5496707-A | Assay method for hemicellulases using a colored substrate | CIBA-GEIGY CORPORATION (US) | 1996-03-05 | — | — | US | claimed |
| EP-0882098-A1 | DYES CONTAINING A 2,4,5-TRIFLUORO-3,6-DICYANOPHENYL REACTIVE GROUP AND USE THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-09 | — | — | EP | disclosed |
| US-5759247-A | COLORING PAPER, PLASTICS, TEXTILES | ZENECA LIMITED (GB) | 1998-06-02 | — | — | US | disclosed |
| WO-1997027250-A1 | DYES CONTAINING A 2,4,5-TRIFLUORO-3,6-DICYANOPHENYL REACTIVE GROUP AND USE THEREOF | BASF AKTIENGESELLSCHAFT (DE) | 1997-07-31 | — | — | WO | disclosed |
| US-5496707-A | Assay method for hemicellulases using a colored substrate | CIBA-GEIGY CORPORATION (US) | 1996-03-05 | — | — | US | disclosed |
| US-5451666-A | Reactive dyes having a triazine group which is substituted by hydrogen or an alkyl group | ZENECA LIMITED (GB) | 1995-09-19 | — | — | US | disclosed |
| US-5373094-A | Reactive dyes containing a 2,6-difluoro-3,5-dichloropyridine group | ZENECA LIMITED (GB) | 1994-12-13 | — | — | US | disclosed |
| US-5359043-A | Reactive dyes having a sulphonamido group | ZENECA LIMITED (GB) | 1994-10-25 | — | — | US | disclosed |
| EP-0578357-A1 | Water soluble reactive dyes | ZENECA LIMITED (GB) | 1994-01-12 | — | — | EP | disclosed |
| EP-0576143-A2 | Reactive dyes containing a 2,6-difluoro-3,5-dichloropyridine-4-ylamino group | ZENECA LIMITED (GB) | 1993-12-29 | — | — | EP | disclosed |
| EP-0514001-A1 | Reactive dyes | ZENECA LIMITED (GB) | 1992-11-19 | — | — | EP | disclosed |