⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7072545 | 1.00 | — | — | |
| SCHEMBL8852888 | 0.84 | — | — | |
| SCHEMBL63634 | 0.78 | — | — | |
| SCHEMBL64857 | 0.78 | — | — | |
| SCHEMBL6856824 | 0.76 | — | — | |
| SCHEMBL1228468 | 0.75 | — | — | |
| SCHEMBL2938000 | 0.75 | — | — | |
| SCHEMBL18917451 | 0.75 | GBA1 (0.31) | — | |
| SCHEMBL9463385 | 0.74 | — | — | |
| SCHEMBL16118040 | 0.74 | — | — |
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-2003104304-A1 | METHOD FOR MAKING SILOXANE POLYMERS | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2003-12-18 | — | — | WO | disclosed |