⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL81582 | 0.96 | — | — | |
| SCHEMBL27424217 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3512172 | 0.92 | — | — | |
| Ethylenediamine SCHEMBL1086274 | 0.83 | CYP2C9 (0.31) | — | |
| SCHEMBL19834930 | 0.83 | — | — | |
| Oxalic Acid SCHEMBL27447877 | 0.78 | ALOX15 (0.36) | — | |
| SCHEMBL30369076 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL8476165 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL4441190 | 0.72 | — | — | |
| SCHEMBL15827538 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5532138-A | Method and kits for determining peroxidatively active catalysts | BEHRINGWERKE AG (DE) | 1996-07-02 | — | — | US | disclosed |