⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL503769 | 0.84 | KCNH2 (0.33) | — | |
| SCHEMBL503773 | 0.81 | — | — | |
| SCHEMBL504000 | 0.75 | NPY1R (0.36) | — | |
| SCHEMBL112418 | 0.71 | SCN9A (0.34) | — | |
| SCHEMBL503794 | 0.69 | SCN9A (0.38) | — | |
| SCHEMBL964666 | 0.68 | HTR2C (0.30) | — | |
| SCHEMBL962961 | 0.65 | NPY1R (0.50) | — | |
| SCHEMBL960539 | 0.64 | — | — | |
| SCHEMBL3405719 | 0.64 | NPY1R (0.42) | — | |
| SCHEMBL13012098 | 0.64 | SCN9A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120028970-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-02-02 | — | — | US | disclosed |