⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL504531 | 0.93 | HTR2C (0.32) | — | |
| SCHEMBL112418 | 0.80 | SCN9A (0.34) | — | |
| SCHEMBL960539 | 0.77 | — | — | |
| SCHEMBL113294 | 0.76 | NPY1R (0.44) | — | |
| SCHEMBL964666 | 0.76 | HTR2C (0.30) | — | |
| SCHEMBL962184 | 0.76 | HTR2C (0.30) | — | |
| SCHEMBL965683 | 0.74 | — | — | |
| SCHEMBL964477 | 0.73 | — | — | |
| SCHEMBL12914810 | 0.73 | HTR2C (0.31) | — | |
| SCHEMBL964163 | 0.73 | ALDH1A1 (0.30) | — |
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 |