⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8383216 | 0.79 | — | — | |
| SCHEMBL8383214 | 0.79 | — | — | |
| SCHEMBL2847722 | 0.79 | — | — | |
| SCHEMBL2847718 | 0.77 | — | — | |
| SCHEMBL1118561 | 0.77 | — | — | |
| SCHEMBL5563899 | 0.74 | — | — | |
| SCHEMBL12306462 | 0.72 | — | — | |
| SCHEMBL11277300 | 0.72 | — | — | |
| SCHEMBL11793101 | 0.72 | — | — | |
| SCHEMBL5704653 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070037940-A1 | Romp with fluorinated groups | CIBA SPECIALTY CHEMICALS CORP. | 2007-02-15 | — | — | US | claimed |
| EP-1680458-A2 | ROMP WITH FLUORINATED GROUPS | Ciba SC Holding AG (CH) | 2006-07-19 | — | — | EP | claimed |
| WO-2005028402-A2 | ROMP WITH FLUORINATED GROUPS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-03-31 | — | — | WO | claimed |
| US-20070037940-A1 | Romp with fluorinated groups | CIBA SPECIALTY CHEMICALS CORP. | 2007-02-15 | — | — | US | disclosed |
| EP-1680458-A2 | ROMP WITH FLUORINATED GROUPS | Ciba SC Holding AG (CH) | 2006-07-19 | — | — | EP | disclosed |
| WO-2005028402-A2 | ROMP WITH FLUORINATED GROUPS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2005-03-31 | — | — | WO | disclosed |