⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10285084 | 0.75 | — | — | |
| SCHEMBL3398730 | 0.75 | — | — | |
| SCHEMBL3397986 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL10586202 | 0.61 | — | — | |
| SCHEMBL8351884 | 0.55 | — | — | |
| SCHEMBL5425474 | 0.53 | — | — | |
| SCHEMBL11776174 | 0.53 | — | — | |
| SCHEMBL1855995 | 0.53 | — | — | |
| SCHEMBL5560468 | 0.52 | TSHR (0.32) | — | |
| SCHEMBL11771036 | 0.51 | — | — |
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-2202216-A1 | SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES | Japan Tobacco Inc. (JP) | 2010-06-30 | — | — | EP | disclosed |