⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27607124 | 0.89 | — | — | |
| SCHEMBL85457 | 0.87 | — | — | |
| SCHEMBL6731352 | 0.75 | — | — | |
| SCHEMBL3926170 | 0.75 | — | — | |
| SCHEMBL28774207 | 0.75 | — | — | |
| Hydrogen Sulfide SCHEMBL9164199 | 0.75 | — | — | |
| Phosphine SCHEMBL13723818 | 0.75 | — | — | |
| SCHEMBL7795632 | 0.75 | — | — | |
| SCHEMBL9505413 | 0.75 | — | — | |
| SCHEMBL8971061 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8206673-B2 | Method of preparing boron-nitrogen compounds | WILDCAT DISCOVERY TECHNOLOGIES (US) | 2012-06-26 | — | — | US | disclosed |
| US-20110064640-A1 | METHOD OF PREPARING BORON-NITROGEN COMPOUNDS | WILDCAT DISCOVERY TECHNOLOGIES (US) | 2011-03-17 | — | — | US | disclosed |
| CN-1205214-C | Carbonium cation complexes suitable for polymerization catalysts | EXXON CHEMICAL PATENTS INC (US) | 2005-06-08 | — | — | CN | disclosed |
| CN-1382147-A | Carbenium cationic complexes suitable-for polymerization catalysts | EXXON CHEMICAL PATENTS INC (US) | 2002-11-27 | — | — | CN | disclosed |