⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11512050 | 0.78 | — | — | |
| SCHEMBL24459 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL237157 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL546609 | 0.74 | — | — | |
| Fluoride SCHEMBL498862 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL1138722 | 0.74 | ALDH1A1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL9538468 | 0.74 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL7178493 | 0.74 | — | — | |
| SCHEMBL21385109 | 0.74 | — | — | |
| SCHEMBL4778229 | 0.74 | — | — |
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-0827987-B1 | Mixtures of azo reactive dyes and their use for dyeing fiber material containing hydroxy or carbonamide groups | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2000-11-02 | — | — | EP | claimed |
| US-5780602-A | MONOAZO AND DISAZO FIBER REACTIVE DYES; DYEING AND FIXING | PYSTAR TEXTILFARBEN GMBH & CO. KG (DE) | 1998-07-14 | — | — | US | disclosed |