⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2114619 | 0.87 | SIGMAR1 (0.33) | — | |
| SCHEMBL2115415 | 0.87 | PARP1 (0.31) | — | |
| SCHEMBL2114015 | 0.86 | SIGMAR1 (0.30) | — | |
| SCHEMBL2116420 | 0.86 | CHRM1 (0.33) | — | |
| SCHEMBL2114406 | 0.85 | POLB (0.36) | — | |
| SCHEMBL2116538 | 0.80 | LMNA (0.33) | — | |
| SCHEMBL2115024 | 0.78 | ALPL (0.35) | — | |
| SCHEMBL2118736 | 0.78 | POLB (0.37) | — | |
| SCHEMBL446115 | 0.77 | CYP2D6 (0.34) | — | |
| SCHEMBL27695013 | 0.76 | — | — |
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 |