⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17437633 | 0.67 | — | — | |
| SCHEMBL9233526 | 0.65 | FLT3 (0.50) | — | |
| SCHEMBL197556 | 0.62 | — | — | |
| SCHEMBL4854707 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL16013782 | 0.60 | — | — | |
| SCHEMBL16096280 | 0.58 | CYP2C9 (0.46) | — | |
| SCHEMBL3722172 | 0.57 | GABRG2 (0.35) | — | |
| SCHEMBL3165625 | 0.56 | — | — | |
| SCHEMBL9662141 | 0.56 | — | — | |
| SCHEMBL7850048 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5457200-A | Oxidative coupling reactions for determination of hydrogen peroxide | BOEHRINGER MANNHEIM (DE) | 1995-10-10 | — | — | US | disclosed |
| US-5234818-A | Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound | BOEHRINGER MANNHEIM GMBH (DE) | 1993-08-10 | — | — | US | disclosed |