⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1651850 | 0.82 | CES2 (0.70) | — | |
| SCHEMBL6320074 | 0.82 | ERCC5 (0.74) | — | |
| SCHEMBL574955 | 0.80 | — | — | |
| SCHEMBL6196587 | 0.80 | — | — | |
| SCHEMBL7070914 | 0.80 | ERCC5 (0.71) | — | |
| SCHEMBL5369014 | 0.80 | — | — | |
| SCHEMBL51450 | 0.80 | — | — | |
| SCHEMBL1180035 | 0.78 | — | — | |
| SCHEMBL12430470 | 0.78 | — | — | |
| SCHEMBL8544013 | 0.78 | CES2 (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 |
|---|---|---|---|---|---|---|---|
| CN-1974083-A | Prepn process and application of metal-carbon nanometer composite material | UNIV DALIAN TECH (CN) | 2007-06-06 | — | — | CN | claimed |
| CN-1974083-A | Prepn process and application of metal-carbon nanometer composite material | UNIV DALIAN TECH (CN) | 2007-06-06 | — | — | CN | disclosed |
| WO-2006093518-A2 | THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS | APATH, LLC (US) | 2006-09-08 | — | — | WO | disclosed |