⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12656291 | 0.67 | ACKR3 (0.33) | — | |
| SCHEMBL2014512 | 0.64 | PIK3CD (0.38) | — | |
| SCHEMBL2014082 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL14113510 | 0.60 | LMNA (0.37) | — | |
| SCHEMBL2017638 | 0.59 | — | — | |
| SCHEMBL28060378 | 0.58 | — | — | |
| SCHEMBL439923 | 0.57 | LMNA (0.33) | — | |
| SCHEMBL15304338 | 0.55 | LMNA (0.41) | — | |
| SCHEMBL1365046 | 0.55 | — | — | |
| SCHEMBL6551753 | 0.54 | PIK3CD (0.63) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2513069-B1 | ANTIFUNGAL COMPOUNDS | UNIV LEUVEN KATH (BE) | 2014-10-15 | — | — | EP | disclosed |
| EP-2513069-A1 | ANTIFUNGAL COMPOUNDS | Katholieke Universiteit Leuven (BE) | 2012-10-24 | — | — | EP | disclosed |
| US-20120252801-A1 | ANTIFUNGAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) | 2012-10-04 | — | — | US | disclosed |
| WO-2011072345-A1 | ANTIFUNGAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2011-06-23 | — | — | WO | disclosed |