⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7198342 | 0.83 | — | — | |
| SCHEMBL7197284 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL8207408 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6900938 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL7938134 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6905986 | 0.68 | — | — | |
| SCHEMBL7202137 | 0.68 | — | — | |
| SCHEMBL6905990 | 0.65 | — | — | |
| SCHEMBL6900944 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8206772 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0880534-A1 | HETEROATOM SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS FOR PREPARING THEM | BOREALIS A/S (DK) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997028170-A1 | HETEROATOM SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS FOR PREPARING THEM | BOREALIS A/S (DK) | 1997-08-07 | — | — | WO | disclosed |