⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL433960 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9339440 | 0.73 | — | — | |
| Ethylenediamine SCHEMBL11137792 | 0.70 | LOX (0.44) | — | |
| Methylamine SCHEMBL5478789 | 0.69 | — | — | |
| SCHEMBL12806756 | 0.67 | — | — | |
| SCHEMBL1728837 | 0.67 | — | — | |
| Methylamine SCHEMBL6078870 | 0.65 | — | — | |
| SCHEMBL1728836 | 0.65 | — | — | |
| Water SCHEMBL645100 | 0.63 | — | — | |
| SCHEMBL1567 | 0.63 | — | — |
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-20100284914-A1 | Novel Amine-Borane Compounds and Uses Thereof | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2010-11-11 | — | — | US | disclosed |