⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10186929 | 0.69 | — | — | |
| SCHEMBL19750252 | 0.67 | LMNA (0.47) | — | |
| SCHEMBL27952923 | 0.63 | CHRM5 (0.46) | — | |
| SCHEMBL272575 | 0.63 | — | — | |
| SCHEMBL27932462 | 0.63 | — | — | |
| SCHEMBL470271 | 0.63 | — | — | |
| Iodide SCHEMBL11058783 | 0.61 | — | — | |
| SCHEMBL10872946 | 0.61 | — | — | |
| SCHEMBL14022350 | 0.59 | — | — | |
| SCHEMBL28226960 | 0.59 | NOTUM (0.50) | — |
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-1602647-B1 | NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT | SANTEN PHARMACEUTICAL CO LTD (JP) | 2013-10-16 | — | — | EP | disclosed |