⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9445627 | 0.77 | — | — | |
| SCHEMBL2162530 | 0.77 | — | — | |
| SCHEMBL3112305 | 0.77 | — | — | |
| SCHEMBL9515041 | 0.73 | ALOX15 (0.48) | — | |
| SCHEMBL72618 | 0.71 | — | — | |
| SCHEMBL3250029 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL27940076 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL23986554 | 0.69 | — | — | |
| SCHEMBL1454889 | 0.69 | — | — | |
| SCHEMBL8539928 | 0.69 | — | — |
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-0161877-B1 | 1,4-DIHYDROPYRIDINE DERIVATIVES, METHODS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | FUJIREBIO KABUSHIKI KAISHA also trading as FUJIREBIO INC. (JP) | 1991-05-29 | — | — | EP | disclosed |