⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1040739 | 0.76 | — | — | |
| SCHEMBL20944627 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL11057436 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL11318584 | 0.72 | — | — | |
| SCHEMBL8893080 | 0.67 | — | — | |
| SCHEMBL17887262 | 0.67 | — | — | |
| SCHEMBL1582407 | 0.67 | — | — | |
| SCHEMBL16404090 | 0.67 | — | — | |
| SCHEMBL114899 | 0.65 | — | — | |
| SCHEMBL17635568 | 0.65 | — | — |
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-1539730-A4 | NOVEL COMPUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME | FASGEN INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1539730-A1 | NOVEL COMPUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME | Fasgen Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004005277-A1 | NOVEL COMPUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, AND METHODS OF USE FOR SAME | FASGEN, INC. (US) | 2004-01-15 | — | — | WO | disclosed |