⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21298187 | 0.76 | — | — | |
| SCHEMBL21886166 | 0.72 | — | — | |
| SCHEMBL19143973 | 0.72 | — | — | |
| SCHEMBL19953960 | 0.72 | — | — | |
| SCHEMBL14404516 | 0.71 | — | — | |
| SCHEMBL14239242 | 0.71 | — | — | |
| SCHEMBL12181435 | 0.70 | — | — | |
| SCHEMBL20006641 | 0.70 | — | — | |
| SCHEMBL24102139 | 0.70 | — | — | |
| SCHEMBL21202546 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220411418-A1 | CDGSH IRON SULFUR DOMAIN 2 ACTIVATORS AND USE THEREOF | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2022-12-29 | — | — | US | disclosed |
| US-20200283403-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | Valo Health, LLC | 2020-09-10 | — | — | US | disclosed |