⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4043116 | 1.00 | — | — | |
| SCHEMBL822919 | 1.00 | — | — | |
| Methane SCHEMBL2313551 | 0.98 | ALDH1A1 (0.43) | — | |
| SCHEMBL7591312 | 0.92 | ALDH1A1 (0.39) | — | |
| SCHEMBL2313556 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL7231134 | 0.76 | CDK1 (0.37) | — | |
| SCHEMBL805328 | 0.73 | — | — | |
| SCHEMBL433014 | 0.73 | — | — | |
| SCHEMBL9935418 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL2838737 | 0.71 | — | — |
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-2399904-A1 | Process for the preparation of pleuromutilins | Nabriva Therapeutics AG (AT) | 2011-12-28 | — | — | EP | disclosed |
| EP-2390245-A1 | Enantiomerically pure amines | Nabriva Therapeutics AG (AT) | 2011-11-30 | — | — | EP | disclosed |