⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6344924 | 0.73 | DRD2 (0.38) | — | |
| SCHEMBL27372929 | 0.70 | CYP11B1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27484580 | 0.69 | CYP11B1 (0.35) | — | |
| Iodide SCHEMBL27464625 | 0.69 | CYP11B1 (0.32) | — | |
| Bromide SCHEMBL27948604 | 0.69 | HTR2A (0.35) | — | |
| Fluoride Ion SCHEMBL27933059 | 0.69 | CYP11B1 (0.32) | — | |
| SCHEMBL8734338 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL5859366 | 0.67 | CYP11B1 (0.33) | — | |
| SCHEMBL27459604 | 0.66 | CYP11B1 (0.33) | — | |
| SCHEMBL6448190 | 0.66 | BRD4 (0.35) | — |
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-0793679-B1 | ETHYLENE HOMOPOLYMERIZATION USING GROUP 3 METAL COMPLEXES | DOW CHEMICAL CO (US) | 1998-11-25 | — | — | EP | disclosed |
| EP-0793679-A1 | ETHYLENE HOMOPOLYMERIZATION USING GROUP 3 METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016095-A1 | ETHYLENE HOMOPOLYMERIZATION USING GROUP 3 METAL COMPLEXES | THE DOW CHEMICAL COMPANY (US) | 1996-05-30 | — | — | WO | disclosed |
| US-5464906-A | Polymerization catalyst | THE DOW CHEMICAL COMPANY (US) | 1995-11-07 | — | — | US | disclosed |