⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3628762 | 1.00 | — | — | |
| SCHEMBL374935 | 0.87 | MAPK1 (0.47) | — | |
| SCHEMBL31276435 | 0.87 | MAPK1 (0.47) | — | |
| SCHEMBL25061 | 0.87 | MAPK1 (0.47) | — | |
| SCHEMBL6922015 | 0.86 | TLR4 (0.47) | — | |
| SCHEMBL3171 | 0.85 | MAPK1 (0.54) | — | |
| SCHEMBL20303983 | 0.85 | MAPK1 (0.54) | — | |
| SCHEMBL7305358 | 0.85 | MAPK1 (0.54) | — | |
| SCHEMBL31198171 | 0.85 | MAPK1 (0.46) | — | |
| SCHEMBL5864684 | 0.85 | TLR4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2454230-A1 | RADIOLABELLING METHOD USING CYCLOALKYL GROUPS | Bayer Pharma Aktiengesellschaft (DE) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006621-A1 | RADIOLABELLING METHOD USING CYCLOALKYL GROUPS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-01-20 | — | — | WO | disclosed |
| WO-2008065500-A2 | HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-06-05 | — | — | WO | disclosed |