⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5669166 | 0.83 | TSHR (0.52) | — | |
| SCHEMBL8925246 | 0.83 | KDM1A (0.57) | — | |
| SCHEMBL8428945 | 0.81 | KDM1A (0.56) | — | |
| SCHEMBL10943302 | 0.81 | KDM1A (0.56) | — | |
| SCHEMBL3476979 | 0.81 | KDM1A (0.56) | — | |
| SCHEMBL8424536 | 0.81 | KDM1A (0.56) | — | |
| SCHEMBL10827259 | 0.81 | KDM1A (0.56) | — | |
| SCHEMBL18570894 | 0.78 | — | — | |
| SCHEMBL9635542 | 0.78 | — | — | |
| SCHEMBL17340111 | 0.78 | — | — |
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-2611777-B1 | N-(4-{[PYRIDIN-3-YL-METHYL)CARBAMOYL]AMINO}BENZENE-SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER | FORMA TM LLC (US) | 2016-05-11 | — | — | EP | disclosed |