⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL620330 | 0.89 | — | — | |
| SCHEMBL4922010 | 0.80 | — | — | |
| Water SCHEMBL1147717 | 0.80 | — | — | |
| SCHEMBL30960331 | 0.80 | — | — | |
| SCHEMBL2788464 | 0.78 | — | — | |
| SCHEMBL8654670 | 0.60 | — | — | |
| Ammonia Solution, Strong SCHEMBL2966680 | 0.52 | — | — | |
| Ammonia Solution, Strong SCHEMBL1064306 | 0.52 | — | — | |
| Ammonia Solution, Strong SCHEMBL20 | 0.45 | — | — | |
| Ammonia Solution, Strong SCHEMBL10630458 | 0.45 | — | — |
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-20030027842-A1 | Halogenobenzimidazoles | ASSMANN LUTZ (DE) | 2003-02-06 | — | — | US | disclosed |