⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28521872 | 0.86 | — | — | |
| SCHEMBL12481317 | 0.79 | — | — | |
| SCHEMBL28855038 | 0.70 | — | — | |
| SCHEMBL9841902 | 0.70 | — | — | |
| SCHEMBL7099073 | 0.68 | — | — | |
| SCHEMBL8026622 | 0.66 | — | — | |
| SCHEMBL63960 | 0.66 | — | — | |
| SCHEMBL687477 | 0.66 | KMT2A (0.33) | — | |
| SCHEMBL687903 | 0.65 | KMT2A (0.32) | — | |
| SCHEMBL12819492 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009074960-A2 | COSMETIC COMPOSITION COMPRISING AN ORGANOPOLYSILOXANE ELASTOMER AND A PASTY COMPOUND | L'OREAL (FR) | 2009-06-18 | — | — | WO | disclosed |