⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5715745 | 0.95 | NR1H2 (0.31) | — | |
| SCHEMBL5716465 | 0.87 | CXCR2 (0.30) | — | |
| SCHEMBL5716050 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL5716097 | 0.85 | — | — | |
| SCHEMBL5716120 | 0.80 | — | — | |
| SCHEMBL5716451 | 0.79 | TAS1R3 (0.31) | — | |
| SCHEMBL6439566 | 0.79 | NPC1 (0.37) | — | |
| SCHEMBL5715673 | 0.79 | NPC1 (0.37) | — | |
| SCHEMBL5716539 | 0.79 | — | — | |
| SCHEMBL5716207 | 0.78 | NR1H2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1661900-A1 | Olefin polymerization cocatalysts derived from group-15 cationic compounds and processes using them | ExxonMobil Chemical Patents Inc. (US) | 2006-05-31 | — | — | EP | disclosed |
| EP-1252166-B1 | OLEFIN POLYMERIZATION COCATALYSTS DERIVED FROM GROUP-15 CATIONIC COMPOUNDS AND PROCESSES USING THEM | EXXONMOBIL CHEM PATENTS INC (US) | 2005-11-09 | — | — | EP | disclosed |