⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL54546 | 0.87 | — | — | |
| SCHEMBL6056950 | 0.82 | — | — | |
| SCHEMBL28172816 | 0.82 | — | — | |
| Ethylene SCHEMBL9958102 | 0.78 | — | — | |
| Dioxane SCHEMBL27923924 | 0.77 | TTR (0.43) | — | |
| Pyrrolidine SCHEMBL20556816 | 0.77 | ALDH1A1 (0.44) | — | |
| SCHEMBL8571612 | 0.75 | — | — | |
| SCHEMBL3340820 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL7745865 | 0.75 | — | — | |
| Piperazine SCHEMBL28097935 | 0.74 | HIF1A (0.40) | — |
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-1995029939-A1 | ORGANOSILICON COMPOUND, ZIEGLER-NATTA CATALYST CONTAINING THE SAME AND PROCESS FOR POLYMERIZATION OF OLEFINS | TOHO TITANIUM CO., LTD. (JP) | 1995-11-09 | — | — | WO | disclosed |