⚠ 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 | |
|---|---|---|---|---|
| Methylsulfanylmethane SCHEMBL27881646 | 0.68 | — | — | |
| SCHEMBL29665185 | 0.67 | MAPK1 (0.31) | — | |
| SCHEMBL256003 | 0.67 | — | — | |
| SCHEMBL268252 | 0.67 | — | — | |
| SCHEMBL6971371 | 0.67 | — | — | |
| SCHEMBL41118 | 0.67 | — | — | |
| SCHEMBL12706248 | 0.64 | — | — | |
| SCHEMBL15593417 | 0.64 | — | — | |
| SCHEMBL5839330 | 0.64 | — | — | |
| SCHEMBL21641663 | 0.64 | — | — |
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-7858827-B2 | Process for synthesis of dialkoxyorganoboranes | BASF SE (DE) | 2010-12-28 | — | — | US | disclosed |
| US-20080200728-A1 | Process for Synthesis of Dialkoxyorganoboranes | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-21 | — | — | US | disclosed |