⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4840308 | 0.72 | — | — | |
| SCHEMBL252353 | 0.70 | — | — | |
| SCHEMBL7267066 | 0.70 | — | — | |
| SCHEMBL24863504 | 0.70 | — | — | |
| SCHEMBL13066196 | 0.70 | — | — | |
| SCHEMBL588860 | 0.67 | KMT2A (0.43) | — | |
| SCHEMBL3174187 | 0.67 | IDH1 (0.50) | — | |
| SCHEMBL2534037 | 0.67 | KMT2A (0.39) | — | |
| SCHEMBL4893880 | 0.66 | ALDH1A1 (0.62) | — | |
| SCHEMBL13024163 | 0.65 | TYR (0.45) | — |
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-8158652-B2 | 1-Difluoromethyl-5-{4-[3-(1-piperidinyl)propoxy]phenyl}-2(1H)-pyridone; compounds act as histamine-H3 receptor antagonistic substances or inverse-agonistic substances; useful as preventives or remedies for various circular system diseases, nervous system diseases, metabolic system diseases | MSD K.K. (JP) | 2012-04-17 | — | — | US | disclosed |
| US-20080269287-A1 | Substituted Pyridone Derivative | MSD K.K. (JP) | 2008-10-30 | — | — | US | disclosed |
| EP-1820797-A1 | SUBSTITUTED PYRIDONE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2007-08-22 | — | — | EP | disclosed |