⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7606038 | 0.89 | — | — | |
| SCHEMBL6793470 | 0.86 | — | — | |
| SCHEMBL6792142 | 0.84 | EPHX2 (0.30) | — | |
| SCHEMBL6788311 | 0.79 | — | — | |
| SCHEMBL7606186 | 0.78 | — | — | |
| SCHEMBL6787027 | 0.72 | — | — | |
| Methylethylamine SCHEMBL6801245 | 0.72 | — | — | |
| SCHEMBL5716351 | 0.69 | — | — | |
| SCHEMBL29967714 | 0.68 | CES2 (0.37) | — | |
| SCHEMBL1868825 | 0.68 | CES2 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6822057-B2 | OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG | EXXON MOBIL CHEMICAL PATENTS INC. | 2004-11-23 | — | — | US | disclosed |