⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7838596 | 0.90 | — | — | |
| SCHEMBL7839182 | 0.88 | CA2 (0.30) | — | |
| SCHEMBL6937182 | 0.80 | — | — | |
| SCHEMBL7829077 | 0.79 | — | — | |
| SCHEMBL8082084 | 0.77 | — | — | |
| SCHEMBL9548211 | 0.76 | — | — | |
| SCHEMBL7836528 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL8752106 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL8752101 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL8752036 | 0.74 | TSHR (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0675172-B1 | Water-solable azo compounds, process for their preparation and their use as dyestuffs | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2001-04-11 | — | — | EP | disclosed |
| US-5770709-A | BRILLIANT COLOR SHADES, GOOD FASTNESS DURING USE AT HIGH DEGREE OF FIXING | DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) | 1998-06-23 | — | — | US | disclosed |