⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4903114 | 0.78 | GRIA2 (0.43) | — | |
| SCHEMBL4903107 | 0.78 | GRIA2 (0.43) | — | |
| Water SCHEMBL27874120 | 0.77 | GRIA2 (0.42) | — | |
| SCHEMBL157963 | 0.75 | GRIA2 (0.38) | — | |
| SCHEMBL28154196 | 0.72 | GRIA2 (0.32) | — | |
| SCHEMBL23829881 | 0.69 | — | — | |
| SCHEMBL27788154 | 0.66 | GRIA2 (0.37) | — | |
| SCHEMBL28008976 | 0.65 | EDNRA (0.40) | — | |
| Water SCHEMBL28224636 | 0.65 | GRIA2 (0.36) | — | |
| SCHEMBL26096428 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1125064-C | 3-pyridyl enantiomers and their use as analgesics | ABBOTT LAB (US) | 2003-10-22 | — | — | CN | disclosed |
| CN-1245496-A | 3-pyridyl enantiomers and their use as analgesics | ABBOTT LAB (US) | 2000-02-23 | — | — | CN | disclosed |