⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21466023 | 0.72 | — | — | |
| SCHEMBL17212014 | 0.72 | — | — | |
| SCHEMBL23255872 | 0.72 | — | — | |
| SCHEMBL28882555 | 0.71 | — | — | |
| SCHEMBL1221580 | 0.69 | — | — | |
| SCHEMBL1221579 | 0.69 | — | — | |
| SCHEMBL12552341 | 0.67 | — | — | |
| SCHEMBL19545392 | 0.67 | — | — | |
| SCHEMBL25459945 | 0.65 | — | — | |
| SCHEMBL17748860 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017024255-A1 | NICOTINAMIDE MONONUCLEOTIDE DERIVATIVES AND THEIR USES | METROBIOTECH, LLC (US) | 2017-02-09 | — | — | WO | disclosed |