⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20160890 | 0.71 | L3MBTL3 (0.42) | — | |
| SCHEMBL14880320 | 0.71 | KDM1A (0.39) | — | |
| SCHEMBL14880321 | 0.71 | KDM1A (0.39) | — | |
| SCHEMBL9116392 | 0.69 | GRIN1 (0.35) | — | |
| SCHEMBL7320872 | 0.66 | L3MBTL3 (0.45) | — | |
| SCHEMBL5712747 | 0.65 | MPO (0.34) | — | |
| SCHEMBL11486741 | 0.65 | — | — | |
| SCHEMBL7314532 | 0.65 | L3MBTL3 (0.44) | — | |
| SCHEMBL10538464 | 0.65 | L3MBTL3 (0.44) | — | |
| SCHEMBL14880460 | 0.63 | CHRM1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014469-A1 | NOVEL SPIROCYCLES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |
| US-5403846-A | Antiarrhythmic agents | MERCK & CO., INC. (US) | 1995-04-04 | — | — | US | disclosed |