⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7204091 | 0.77 | — | — | |
| SCHEMBL4310538 | 0.68 | GPR84 (0.31) | — | |
| SCHEMBL7043875 | 0.65 | — | — | |
| SCHEMBL7720990 | 0.64 | — | — | |
| SCHEMBL7044005 | 0.64 | — | — | |
| SCHEMBL28633373 | 0.64 | CA1 (0.39) | — | |
| SCHEMBL5044167 | 0.62 | — | — | |
| SCHEMBL5747398 | 0.61 | CES2 (0.34) | — | |
| SCHEMBL5746771 | 0.61 | CA3 (0.33) | — | |
| SCHEMBL12260027 | 0.61 | HPRT1 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1297027-A1 | SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | Exxonmobil Chemical Patents Inc. (US) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002000738-A1 | SILOXY SUBSTITUTED COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-01-03 | — | — | WO | disclosed |