⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8665680 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL10821286 | 0.80 | — | — | |
| Phenol SCHEMBL8668541 | 0.74 | — | — | |
| Butadiene SCHEMBL8665431 | 0.73 | — | — | |
| SCHEMBL8666195 | 0.72 | — | — | |
| Fluoride Ion SCHEMBL27577131 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9864198 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10875611 | 0.71 | — | — | |
| SCHEMBL8667345 | 0.70 | — | — | |
| SCHEMBL372324 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767804-B1 | POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS | DOW CHEMICAL CO (US) | 1998-12-09 | — | — | EP | disclosed |
| US-5646084-A | OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST | THE DOW CHEMICAL COMPANY (US) | 1997-07-08 | — | — | US | disclosed |
| EP-0767804-A1 | POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |
| US-5543480-A | USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY | THE DOW CHEMICAL COMPANY (US) | 1996-08-06 | — | — | US | disclosed |
| WO-1996000742-A1 | POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS | THE DOW CHEMICAL COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |