⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9044064 | 0.67 | — | — | |
| SCHEMBL13162792 | 0.67 | — | — | |
| SCHEMBL12186237 | 0.67 | — | — | |
| SCHEMBL13663709 | 0.59 | — | — | |
| SCHEMBL13155115 | 0.50 | — | — | |
| SCHEMBL17815514 | 0.47 | — | — | |
| SCHEMBL24448995 | 0.45 | — | — | |
| SCHEMBL8664700 | 0.45 | — | — | |
| SCHEMBL10124484 | 0.45 | — | — | |
| SCHEMBL5673152 | 0.45 | — | — |
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-20180051042-A1 | METHODS FOR FORMING SATURATED (HETERO)CYCLIC BORYLATED HYDROCARBONS AND RELATED COMPOUNDS | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2018-02-22 | — | — | US | disclosed |
| US-20180051042-A1 | METHODS FOR FORMING SATURATED (HETERO)CYCLIC BORYLATED HYDROCARBONS AND RELATED COMPOUNDS | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2018-02-22 | — | — | US | disclosed |