⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17249606 | 0.79 | — | — | |
| SCHEMBL21573802 | 0.77 | — | — | |
| SCHEMBL1901026 | 0.77 | FUCA1 (0.39) | — | |
| SCHEMBL17249604 | 0.77 | — | — | |
| SCHEMBL1866565 | 0.74 | FUCA1 (0.40) | — | |
| SCHEMBL10106984 | 0.74 | CYP2C9 (0.49) | — | |
| SCHEMBL22482094 | 0.73 | FUCA1 (0.47) | — | |
| SCHEMBL24133924 | 0.71 | FUCA1 (0.38) | — | |
| SCHEMBL13809942 | 0.71 | CYP2C9 (0.38) | — | |
| SCHEMBL13809941 | 0.71 | CYP2C9 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3247705-B1 | QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS | MILLENNIUM PHARM INC (US) | 2019-11-20 | — | — | EP | disclosed |