⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4975332 | 0.98 | — | — | |
| SCHEMBL1507258 | 0.87 | CA1 (0.31) | — | |
| SCHEMBL1684080 | 0.83 | — | — | |
| SCHEMBL29435405 | 0.83 | — | — | |
| SCHEMBL6283396 | 0.81 | — | — | |
| SCHEMBL3671503 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL28114291 | 0.81 | — | — | |
| SCHEMBL5461684 | 0.78 | — | — | |
| SCHEMBL7074583 | 0.78 | — | — | |
| SCHEMBL29661102 | 0.78 | — | — |
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-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 |