⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3998655 | 0.98 | — | — | |
| SCHEMBL3997560 | 0.82 | — | — | |
| SCHEMBL8408167 | 0.81 | — | — | |
| SCHEMBL8411480 | 0.77 | — | — | |
| SCHEMBL8411255 | 0.75 | — | — | |
| SCHEMBL3154189 | 0.74 | MEN1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL953951 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3192140 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL8024824 | 0.69 | — | — | |
| SCHEMBL6553665 | 0.69 | — | — |
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-1053263-B1 | CATALYST SYSTEM | BASELL POLYOLEFINE GMBH (DE) | 2003-10-01 | — | — | EP | claimed |