⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6202679 | 0.87 | EPHX2 (0.31) | — | |
| SCHEMBL6202689 | 0.66 | CYP2D6 (0.33) | — | |
| SCHEMBL6203725 | 0.63 | EPHX2 (0.33) | — | |
| SCHEMBL6202686 | 0.61 | EPHX2 (0.36) | — | |
| SCHEMBL6203729 | 0.58 | NPC1 (0.33) | — | |
| SCHEMBL6682537 | 0.57 | TSHR (0.42) | — | |
| SCHEMBL1451060 | 0.57 | CETP (0.37) | — | |
| SCHEMBL22883297 | 0.56 | TSHR (0.48) | — | |
| SCHEMBL27888652 | 0.56 | TSHR (0.48) | — | |
| SCHEMBL13517643 | 0.56 | ALDH1A1 (0.50) | — |
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-1501877-A1 | FLUORINATED POLYMERS | Honeywell International Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| US-20040126695-A1 | Fluorinated polymers | HONEYWELL INTERNATIONAL, INC. | 2004-07-01 | — | — | US | disclosed |
| WO-2003095505-A1 | FLUORINATED POLYMERS | HONEYWELL INTERNATIONAL INC. (US) | 2003-11-20 | — | — | WO | disclosed |