⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7197230 | 0.84 | — | — | |
| SCHEMBL7199264 | 0.83 | — | — | |
| SCHEMBL7194250 | 0.77 | — | — | |
| SCHEMBL7197284 | 0.74 | — | — | |
| SCHEMBL8682611 | 0.71 | — | — | |
| SCHEMBL6906304 | 0.69 | — | — | |
| SCHEMBL6900944 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8207408 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6900938 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7938134 | 0.67 | — | — |
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-0880534-B1 | HETEROATOM SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS FOR PREPARING THEM | BOREALIS TECH OY (FI) | 2003-12-17 | — | — | EP | disclosed |