⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2462734 | 0.67 | — | — | |
| SCHEMBL4826968 | 0.59 | — | — | |
| SCHEMBL10298932 | 0.59 | — | — | |
| SCHEMBL8966948 | 0.56 | — | — | |
| SCHEMBL9438584 | 0.56 | — | — | |
| SCHEMBL867894 | 0.54 | — | — | |
| Trimethylammonium SCHEMBL13989274 | 0.50 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.50 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.50 | — | — | |
| Trimethylammonium SCHEMBL1331060 | 0.50 | — | — |
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-6713642-B2 | Method for producing alkali metal monohydridoborates and monohydridoaluminates | CHEMETALL GMBH (DE) | 2004-03-30 | — | — | US | disclosed |
| US-20030166956-A1 | Method for producing alkali metal monohydridoborates and monohydridoaluminates | CHEMETALL GMBH (DE) | 2003-09-04 | — | — | US | disclosed |