⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5898964 | 0.76 | — | — | |
| SCHEMBL6219603 | 0.69 | — | — | |
| SCHEMBL11600094 | 0.69 | — | — | |
| SCHEMBL10446539 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL16166553 | 0.68 | — | — | |
| SCHEMBL2423891 | 0.68 | — | — | |
| SCHEMBL6322446 | 0.66 | — | — | |
| SCHEMBL7891950 | 0.66 | — | — | |
| SCHEMBL1370686 | 0.66 | CYP3A4 (0.37) | — | |
| SCHEMBL3817904 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130261130-A1 | NEUROTRYPSIN INHIBITORS | NEUROTUNE AG (CH) | 2013-10-03 | — | — | US | disclosed |
| EP-2635559-A2 | NEUROTRYPSIN INHIBITORS | Neurotune AG (CH) | 2013-09-11 | — | — | EP | disclosed |
| WO-2012059442-A2 | NEUROTRYPSIN INHIBITORS | NEUROTUNE AG (CH) | 2012-05-10 | — | — | WO | disclosed |