⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8534873 | 1.00 | — | — | |
| SCHEMBL8531628 | 0.86 | ATM (0.48) | — | |
| SCHEMBL8531630 | 0.86 | ATM (0.48) | — | |
| SCHEMBL3990293 | 0.81 | — | — | |
| SCHEMBL269751 | 0.80 | — | — | |
| SCHEMBL1878756 | 0.80 | — | — | |
| SCHEMBL23203149 | 0.77 | HCAR2 (0.61) | — | |
| SCHEMBL27795870 | 0.76 | CES2 (0.36) | — | |
| SCHEMBL28811474 | 0.74 | CES2 (0.42) | — | |
| SCHEMBL7074062 | 0.74 | HCAR2 (0.42) | — |
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-5767295-A | REACTING ALDEHYDE WITH SILANOL-SUBSTITUTED BUTADIENE IN THE PRESENCE OF A LEWIS ACID | KANEKA CORPORATION (JP) | 1998-06-16 | — | — | US | disclosed |