⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9978297 | 1.00 | — | — | |
| SCHEMBL5898472 | 0.72 | — | — | |
| SCHEMBL9762911 | 0.70 | — | — | |
| SCHEMBL435589 | 0.69 | — | — | |
| SCHEMBL435588 | 0.69 | — | — | |
| SCHEMBL360722 | 0.66 | — | — | |
| SCHEMBL5075041 | 0.66 | — | — | |
| SCHEMBL1223513 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL27909547 | 0.64 | — | — | |
| SCHEMBL10425738 | 0.62 | — | — |
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-2576588-A1 | METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES | Syngene Limited (AU) | 2013-04-10 | — | — | EP | disclosed |
| WO-2011146974-A1 | METHODS FOR THE SYNTHESIS OF ALKYNE-CONTAINING DICARBA BRIDGES IN PEPTIDES | MONASH UNIVERSITY (AU) | 2011-12-01 | — | — | WO | disclosed |