⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2423950 | 0.67 | — | — | |
| SCHEMBL25422696 | 0.61 | — | — | |
| SCHEMBL604266 | 0.61 | TYMP (0.40) | — | |
| SCHEMBL15048839 | 0.61 | TYMP (0.40) | — | |
| SCHEMBL9349977 | 0.60 | TYMP (0.31) | — | |
| SCHEMBL2449071 | 0.60 | TYMP (0.31) | — | |
| SCHEMBL5567656 | 0.58 | — | — | |
| SCHEMBL401731 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL11219618 | 0.57 | — | — | |
| SCHEMBL7106315 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7855294-B2 | Cycloalkanopyridine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-12-21 | — | — | US | disclosed |
| US-20070191419-A1 | Cycloalkanopyridine derivative | MSD K.K. (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1726590-A1 | CYCLOALKANOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-11-29 | — | — | EP | disclosed |