⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL821496 | 0.76 | — | — | |
| SCHEMBL3781617 | 0.76 | — | — | |
| SCHEMBL9459 | 0.73 | — | — | |
| SCHEMBL2094168 | 0.73 | LMNA (1.00) | — | |
| Dimethylamine SCHEMBL15610806 | 0.71 | LMNA (0.80) | — | |
| SCHEMBL2230309 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL15232243 | 0.70 | LMNA (0.92) | — | |
| SCHEMBL11207256 | 0.70 | — | — | |
| SCHEMBL9518993 | 0.70 | — | — | |
| SCHEMBL5105333 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1108765-A2 | Hydrophobisation with carboxyl group containing polysiloxanes | BAYER AG (DE) | 2001-06-20 | — | — | EP | disclosed |