⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14932047 | 0.84 | — | — | |
| SCHEMBL6280483 | 0.80 | CHRNB2 (0.30) | — | |
| SCHEMBL5556649 | 0.75 | POLB (0.39) | — | |
| SCHEMBL14931963 | 0.75 | — | — | |
| SCHEMBL14932067 | 0.75 | — | — | |
| SCHEMBL4011644 | 0.72 | HTR7 (0.30) | — | |
| SCHEMBL6277019 | 0.69 | — | — | |
| SCHEMBL6658831 | 0.62 | HTR2A (0.43) | — | |
| SCHEMBL6277880 | 0.61 | — | — | |
| SCHEMBL25223032 | 0.59 | MEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296991-B1 | SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEM PATENTS INC (US) | 2013-05-15 | — | — | EP | disclosed |
| EP-1268575-A2 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001081435-A2 | NITROGEN-CONTAINING GROUP-13 ANIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2001-11-01 | — | — | WO | disclosed |