⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23698 | 0.84 | — | — | |
| Ethane SCHEMBL8991520 | 0.81 | — | — | |
| SCHEMBL3146072 | 0.81 | — | — | |
| SCHEMBL23091 | 0.65 | — | — | |
| SCHEMBL20888462 | 0.63 | — | — | |
| SCHEMBL62097 | 0.63 | — | — | |
| SCHEMBL1357221 | 0.63 | LMNA (0.68) | — | |
| SCHEMBL5512711 | 0.63 | LMNA (0.68) | — | |
| SCHEMBL187285 | 0.63 | LMNA (0.68) | — | |
| SCHEMBL15027986 | 0.63 | LMNA (0.68) | — |
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 1 patent. 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 |