⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30527 | 1.00 | — | — | |
| P-Xylene SCHEMBL28885091 | 0.97 | ACHE (0.48) | — | |
| Nitrogen SCHEMBL27314581 | 0.95 | HDAC1 (0.45) | — | |
| Benzene SCHEMBL28448554 | 0.95 | ACHE (0.48) | — | |
| Methoxymethane SCHEMBL27503637 | 0.92 | HDAC1 (0.44) | — | |
| Acetic Acid SCHEMBL29059065 | 0.86 | HDAC1 (0.53) | — | |
| P-Xylene SCHEMBL28217850 | 0.84 | NFE2L2 (0.42) | — | |
| SCHEMBL10018722 | 0.82 | AKR1C3 (0.54) | — | |
| SCHEMBL14365640 | 0.82 | AKR1C3 (0.54) | — | |
| SCHEMBL10014184 | 0.79 | NISCH (0.46) | — |
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-12336981-B2 | Compounds and compositions for the inhibition of NAMPT | VALO HEALTH, INC. (US) | 2025-06-24 | — | — | US | disclosed |
| US-20230346753-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO HEALTH, INC. | 2023-11-02 | — | — | US | disclosed |
| US-11547701-B2 | Compounds and compositions for the inhibition of NAMPT | VALO HEALTH, INC. (US) | 2023-01-10 | — | — | US | disclosed |