⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28016903 | 0.78 | USP2 (0.31) | — | |
| SCHEMBL17665759 | 0.64 | — | — | |
| SCHEMBL14627790 | 0.64 | — | — | |
| Bromide SCHEMBL7295860 | 0.62 | — | — | |
| SCHEMBL5492690 | 0.62 | KDM4E (0.30) | — | |
| SCHEMBL24565085 | 0.61 | — | — | |
| SCHEMBL27820601 | 0.59 | ALDH1A1 (0.32) | — | |
| SCHEMBL17734083 | 0.59 | — | — | |
| SCHEMBL24016901 | 0.58 | — | — | |
| SCHEMBL16900693 | 0.58 | — | — |
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 |