⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21247461 | 0.64 | — | — | |
| SCHEMBL4819553 | 0.64 | — | — | |
| SCHEMBL3715905 | 0.64 | — | — | |
| SCHEMBL21001968 | 0.60 | — | — | |
| SCHEMBL215857 | 0.59 | — | — | |
| SCHEMBL279520 | 0.57 | — | — | |
| SCHEMBL22839936 | 0.55 | HPGD (0.38) | — | |
| Hydrochloric Acid SCHEMBL4791999 | 0.55 | — | — | |
| SCHEMBL1338593 | 0.55 | — | — | |
| SCHEMBL11402528 | 0.54 | — | — |
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-2585440-A1 | 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA | Janssen Pharmaceutica, N.V. (BE) | 2013-05-01 | — | — | EP | disclosed |
| WO-2012000933-A1 | 3-AMINO-5,6-DIHYDRO-1H-PYRAZIN-2-ONE DERIVATIVES USEFUL FOR THE TREATEMENT OF ALZHEIMER'S DISEASE AND OTHER FORMS OF DEMENTIA | JANSSEN PHARMACEUTICA NV (BE) | 2012-01-05 | — | — | WO | disclosed |