⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13503493 | 0.76 | GPR3 (0.46) | — | |
| SCHEMBL2393998 | 0.72 | GPR3 (0.39) | — | |
| SCHEMBL3616033 | 0.71 | ROCK1 (0.42) | — | |
| SCHEMBL6161286 | 0.68 | PLAU (0.31) | — | |
| SCHEMBL21295705 | 0.68 | PLAU (0.36) | — | |
| SCHEMBL21295809 | 0.67 | CYP11B1 (0.38) | — | |
| SCHEMBL21295807 | 0.67 | PIK3CD (0.35) | — | |
| SCHEMBL1334400 | 0.65 | GPR3 (0.39) | — | |
| SCHEMBL5377839 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL3619514 | 0.65 | NR4A2 (0.37) | — |
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-20110028507-A1 | PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2011-02-03 | — | — | US | disclosed |