⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6283451 | 0.70 | CES2 (0.31) | — | |
| SCHEMBL7180703 | 0.66 | — | — | |
| SCHEMBL6283299 | 0.64 | DHODH (0.35) | — | |
| SCHEMBL7176521 | 0.64 | — | — | |
| SCHEMBL7182615 | 0.63 | CTSL (0.30) | — | |
| SCHEMBL6281065 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL3807695 | 0.59 | NPC1 (0.31) | — | |
| SCHEMBL6285468 | 0.57 | CES2 (0.33) | — | |
| SCHEMBL28579999 | 0.57 | NPC1 (0.30) | — | |
| SCHEMBL5391089 | 0.57 | NPC1 (0.30) | — |
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-1349653-A2 | FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | ExxonMobil Chemical Patents Inc. (US) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002036639-A2 | FLUORINATED ZWITTERIONIC COCATALYST ACTIVATORS FOR OLEFIN POLYMERIZATION | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2002-05-10 | — | — | WO | disclosed |