⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10487317 | 0.69 | — | — | |
| SCHEMBL6180154 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL2066577 | 0.62 | — | — | |
| SCHEMBL2715190 | 0.59 | — | — | |
| SCHEMBL10487329 | 0.59 | — | — | |
| SCHEMBL3069897 | 0.57 | — | — | |
| SCHEMBL8318175 | 0.56 | ALDH1A1 (0.35) | — | |
| SCHEMBL28415698 | 0.55 | NOTUM (0.42) | — | |
| SCHEMBL11689212 | 0.55 | — | — | |
| SCHEMBL23183247 | 0.54 | — | — |
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-9145428-B2 | Methods and systems for forming boronic acids and intermediates thereof | DOW AGROSCIENCES LLC (US) | 2015-09-29 | — | — | US | disclosed |
| US-20130066115-A1 | METHODS AND SYSTEMS FOR FORMING BORONIC ACIDS AND INTERMEDIATES THEREOF | DOW AGROSCIENCES LLC (US) | 2013-03-14 | — | — | US | disclosed |