⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29429814 | 1.00 | — | — | |
| SCHEMBL120998 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9260963 | 0.87 | — | — | |
| Ethane SCHEMBL4431069 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL1331060 | 0.58 | — | — | |
| Bromomethane SCHEMBL10615072 | 0.58 | — | — | |
| SCHEMBL1023 | 0.58 | — | — | |
| SCHEMBL415950 | 0.58 | — | — | |
| Methyl Alcohol SCHEMBL1122237 | 0.58 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.58 | — | — |
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-6355840-B1 | REACTION OF TRIALKYLALUMINUM, A METHYLBORANE AND METHYL IODIDE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-03-12 | — | — | US | disclosed |