⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7110691 | 0.75 | — | — | |
| SCHEMBL323331 | 0.64 | — | — | |
| SCHEMBL207623 | 0.64 | — | — | |
| SCHEMBL7762956 | 0.64 | — | — | |
| Fluoride SCHEMBL27919986 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL28032630 | 0.60 | — | — | |
| SCHEMBL1140879 | 0.57 | — | — | |
| SCHEMBL2799412 | 0.57 | — | — | |
| SCHEMBL20845275 | 0.57 | — | — | |
| Methylamine SCHEMBL27814155 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6139484-A | A CHEMICAL INTERMEDIATE FOR THE HYDROGENATION PROCESS OF THE COMPLEX WITH ZIRCONIUM TO FORM A POLYMERIZATION CATALYST | ENICHEM S.P.A. (IT) | 2000-10-31 | — | — | US | disclosed |
| EP-0773205-B1 | Bridged cyclopentadienyl derivatives and process for their preparation | ENICHEM SPA (IT) | 1999-12-22 | — | — | EP | disclosed |
| EP-0773205-A1 | Bridged cyclopentadienyl derivatives and process for their preparation | ENICHEM S.p.A. (IT) | 1997-05-14 | — | — | EP | disclosed |