⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6678790 | 0.73 | — | — | |
| SCHEMBL6678787 | 0.73 | — | — | |
| SCHEMBL29760645 | 0.70 | CES2 (0.31) | — | |
| SCHEMBL2181389 | 0.69 | — | — | |
| SCHEMBL29760563 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL17445920 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL34509 | 0.66 | — | — | |
| SCHEMBL22734204 | 0.66 | — | — | |
| SCHEMBL29760513 | 0.65 | CES2 (0.44) | — | |
| SCHEMBL6680034 | 0.64 | — | — |
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-1451228-A1 | FLUORINE-CONTAINING COMPOUNDS AND POLYMERS DERIVED THEREFROM | Honeywell International, Inc. (US) | 2004-09-01 | — | — | EP | disclosed |
| US-20030039919-A1 | Fluorine-containing compounds and polymers derived therefrom | HONEYWELL INTERNATIONAL INC. | 2003-02-27 | — | — | US | disclosed |
| WO-2002102858-A1 | FLUORINE-CONTAINING COMPOUNDS AND POLYMERS DERIVED THEREFROM | HONEYWELL INTERNATIONAL, INC. (US) | 2002-12-27 | — | — | WO | disclosed |