⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10507185 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL28896138 | 0.80 | — | — | |
| SCHEMBL27718556 | 0.78 | — | — | |
| SCHEMBL330010 | 0.78 | — | — | |
| SCHEMBL1582903 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL2327204 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL7919339 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL27605032 | 0.77 | — | — | |
| SCHEMBL164159 | 0.77 | ALDH1A1 (0.53) | — | |
| SCHEMBL7562293 | 0.76 | ALDH1A1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1984386-A1 | METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS | Monash University (AU) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007093014-A1 | METHODS FOR THE SYNTHESIS OF TWO OR MORE DICARBA BRIDGES IN ORGANIC COMPOUNDS | MONASH UNIVERSITY (AU) | 2007-08-23 | — | — | WO | disclosed |