⚠ 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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL2980006 | 0.75 | — | — | |
| SCHEMBL216324 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9325772 | 0.71 | — | — | |
| Water SCHEMBL486602 | 0.71 | — | — | |
| Iodide SCHEMBL28384897 | 0.71 | — | — | |
| SCHEMBL30091 | 0.71 | — | — | |
| SCHEMBL11406677 | 0.71 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL30463044 | 0.68 | — | — | |
| Ethylene Glycol SCHEMBL11138840 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL15210 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6706830-B2 | POLYMERISATION OF THE CONJUGATED DIOLEFINS AND NON-CONJUGATED OLEFINS IS CARRIED OUT IN THE PRESENCE OF CATALYSTS COMPRISING ALLYL COMPLEXES OF THE RARE EARTH METALS IN COMBINATION WITH CO-CATALYSTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |
| US-20030162920-A1 | Copolymerisation of conjugated dienes with non-conjugated olefins by means of rare earth catalysts | BAYER AKTIENGESELLSCHAFT (DE) | 2003-08-28 | — | — | US | disclosed |