⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL882914 | 0.79 | LMNA (0.44) | — | |
| SCHEMBL1357902 | 0.79 | LMNA (0.44) | — | |
| SCHEMBL10936026 | 0.78 | — | — | |
| SCHEMBL764019 | 0.77 | — | — | |
| SCHEMBL6005535 | 0.77 | — | — | |
| SCHEMBL1417185 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL1696541 | 0.77 | — | — | |
| SCHEMBL7624990 | 0.77 | — | — | |
| SCHEMBL13903697 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL1487123 | 0.77 | — | — |
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-5567849-A | Borane-sulfide hydroboration agents | ALDRICH CHEMICAL COMPANY, INC. (US) | 1996-10-22 | — | — | US | disclosed |
| US-4668722-A | Hindered piperidinoalcohol 1,1,1-trioxyalkane stabilizers | MACK GERRY P | 1987-05-26 | — | — | US | disclosed |