⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7067733 | 0.98 | — | — | |
| Bromide SCHEMBL8380461 | 0.76 | — | — | |
| SCHEMBL8421413 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8380377 | 0.76 | — | — | |
| SCHEMBL6357257 | 0.75 | — | — | |
| Trimethylammonium SCHEMBL27313103 | 0.73 | — | — | |
| SCHEMBL7068016 | 0.71 | GPR3 (0.30) | — | |
| SCHEMBL28359266 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL8425021 | 0.71 | TP53 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7066360 | 0.70 | — | — |
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-0530908-B2 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM NV (NL) | 2003-06-04 | — | — | EP | disclosed |
| EP-0530908-B1 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM NV (NL) | 1999-04-21 | — | — | EP | disclosed |
| US-5646083-A | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM N.V. (NL) | 1997-07-08 | — | — | US | disclosed |
| EP-0530908-A1 | Process for the preparation of a bridged metallocene compound as well as a catalyst component and a process for the polymerization of olefins | DSM N.V. (NL) | 1993-03-10 | — | — | EP | disclosed |