⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25394393 | 0.74 | — | — | |
| SCHEMBL8603802 | 0.72 | — | — | |
| SCHEMBL4172790 | 0.70 | — | — | |
| SCHEMBL25167831 | 0.67 | — | — | |
| SCHEMBL13788900 | 0.67 | — | — | |
| SCHEMBL1434776 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL27029152 | 0.65 | — | — | |
| SCHEMBL9278149 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL18720132 | 0.63 | — | — | |
| SCHEMBL10452565 | 0.63 | KDM4E (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013010453-A1 | CHEMOKING RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2013-01-24 | — | — | WO | disclosed |