⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27397893 | 1.00 | — | — | |
| SCHEMBL11105098 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL11105090 | 0.81 | ALDH1A1 (0.56) | — | |
| SCHEMBL6682908 | 0.75 | — | — | |
| SCHEMBL24091342 | 0.74 | — | — | |
| SCHEMBL20182407 | 0.74 | — | — | |
| SCHEMBL3504045 | 0.73 | — | — | |
| SCHEMBL5083578 | 0.73 | — | — | |
| SCHEMBL319417 | 0.73 | — | — | |
| SCHEMBL17503298 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198812-A2 | PROCESS FOR THE MANUFACTURE OF 2-SUBSTITUTED-5-(1-METHYLTHIO)ALKYLPYRIDINES | SOLVAY SA (BE) | 2017-11-23 | — | — | WO | disclosed |