⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9843108 | 0.81 | — | — | |
| SCHEMBL5157839 | 0.78 | — | — | |
| SCHEMBL3982648 | 0.78 | — | — | |
| SCHEMBL1608778 | 0.76 | — | — | |
| SCHEMBL29240858 | 0.76 | — | — | |
| SCHEMBL10588594 | 0.76 | — | — | |
| SCHEMBL25331168 | 0.74 | — | — | |
| SCHEMBL9636874 | 0.73 | — | — | |
| SCHEMBL5390842 | 0.72 | — | — | |
| SCHEMBL6550478 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0753509-B1 | Process for the recovery of 4-beta-sulfatoethylsulfonylaniline-2-sulfonic acid | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2000-11-02 | — | — | EP | disclosed |
| EP-0753509-A1 | Process for the recovery of beta-sulfatoethylsulfonylanilinesulfonic acids | BAYER AG (DE) | 1997-01-15 | — | — | EP | disclosed |
| EP-0134033-B1 | BENZTHIAZINOPHENOXAZINE DYESTUFFS | BAYER AG (DE) | 1987-07-08 | — | — | EP | disclosed |