⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8583429 | 0.81 | CYP2D6 (0.34) | — | |
| SCHEMBL8583397 | 0.77 | TSHR (0.38) | — | |
| SCHEMBL8580780 | 0.72 | HMGCR (0.50) | — | |
| SCHEMBL8581959 | 0.67 | KDM5A (0.35) | — | |
| SCHEMBL28892224 | 0.65 | MEN1 (0.32) | — | |
| SCHEMBL28892225 | 0.65 | MEN1 (0.32) | — | |
| SCHEMBL5812141 | 0.64 | CYP2D6 (0.32) | — | |
| SCHEMBL3458239 | 0.63 | MEN1 (0.33) | — | |
| SCHEMBL5157779 | 0.62 | CYP2D6 (0.39) | — | |
| SCHEMBL28144948 | 0.60 | MMP1 (0.33) | — |
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-0511446-A2 | Process for preparing pyridinecarboxylic acid derivatives | HOECHST CELANESE CORPORATION (US) | 1992-11-04 | — | — | EP | disclosed |