⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31482680 | 0.84 | CYP2C9 (0.31) | — | |
| SCHEMBL17239706 | 0.80 | CYP2C9 (0.33) | — | |
| SCHEMBL10457153 | 0.74 | CYP2C9 (0.42) | — | |
| Adamantane SCHEMBL28705266 | 0.64 | GRIN2D (0.45) | — | |
| SCHEMBL17239751 | 0.62 | ALDH1A1 (0.44) | — | |
| SCHEMBL2008926 | 0.61 | — | — | |
| SCHEMBL11723421 | 0.60 | CYP2C9 (0.31) | — | |
| SCHEMBL1603764 | 0.60 | HSD11B1 (0.41) | — | |
| SCHEMBL11726131 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL31672207 | 0.59 | HSD11B1 (0.40) | — |
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-9382267-B2 | Small molecule inhibitors of nicotinamide phosphoribosyltransferase (NAMPT) | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2016-07-05 | — | — | US | disclosed |
| US-20150322093-A1 | SMALL MOLECULE INHIBITORS OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) | THE CURATORS OF THE UNIVERSITY OF MISSOURI | 2015-11-12 | — | — | US | disclosed |