⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL289394 | 0.67 | TSHR (0.31) | — | |
| SCHEMBL14743059 | 0.65 | — | — | |
| SCHEMBL28523102 | 0.60 | — | — | |
| SCHEMBL4302756 | 0.60 | — | — | |
| SCHEMBL1569376 | 0.60 | — | — | |
| SCHEMBL3643534 | 0.58 | — | — | |
| SCHEMBL243119 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL28881157 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL5891757 | 0.57 | — | — | |
| SCHEMBL667278 | 0.56 | CYP2D6 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115249-B2 | Method for the production of hydrogen from the dehydrocoupling of amine boranes | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2015-08-25 | — | — | US | disclosed |
| US-20110104046-A1 | METHOD FOR THE PRODUCTION OF HYDROGEN FROM THE DEHYDROCOUPLING OF AMINE BORANES | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2011-05-05 | — | — | US | disclosed |
| WO-2009137932-A1 | METHOD FOR THE PRODUCTION OF HYDROGEN FROM THE DEHYDROCOUPLING OF AMINE BORANES | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2009-11-19 | — | — | WO | disclosed |