⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18281837 | 0.67 | — | — | |
| SCHEMBL1493303 | 0.67 | — | — | |
| SCHEMBL14865325 | 0.67 | — | — | |
| SCHEMBL12463312 | 0.62 | — | — | |
| SCHEMBL1531192 | 0.62 | — | — | |
| SCHEMBL1531224 | 0.62 | — | — | |
| SCHEMBL18710654 | 0.56 | — | — | |
| SCHEMBL13969366 | 0.55 | — | — | |
| SCHEMBL33719 | 0.49 | — | — | |
| SCHEMBL13352657 | 0.48 | TTR (0.44) | — |
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-20170349552-A1 | Treatment of Amyotrophic Lateral Sclerosis | NORTHWESTERN UNIVERSITY (US) | 2017-12-07 | — | — | US | disclosed |
| WO-2010015656-A2 | NEW ALKOXYPYRAZOLES | INSTITUT PASTEUR (FR) | 2010-02-11 | — | — | WO | disclosed |
| EP-2151434-A1 | Alkoxypyrazoles and the process for their preparation | Institut Pasteur (FR) | 2010-02-10 | — | — | EP | disclosed |