⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7196870 | 0.79 | BCHE (0.32) | — | |
| SCHEMBL6672398 | 0.66 | GPR3 (0.40) | — | |
| SCHEMBL6443435 | 0.66 | BCHE (0.31) | — | |
| SCHEMBL6671925 | 0.65 | GPR3 (0.46) | — | |
| SCHEMBL30390148 | 0.65 | GPR3 (0.46) | — | |
| SCHEMBL19305238 | 0.64 | — | — | |
| SCHEMBL2487002 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL811670 | 0.63 | BCHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL676961 | 0.63 | BCHE (0.31) | — | |
| Hydrochloric Acid SCHEMBL8207360 | 0.63 | BCHE (0.31) | — |
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 4 patents. 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 |
| US-6277778-B1 | COORDINATION CATALYSTS | BOREALIS A/S (DK) | 2001-08-21 | — | — | US | disclosed |
| 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 |