⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9120603 | 0.98 | — | — | |
| SCHEMBL9122022 | 0.98 | — | — | |
| SCHEMBL9120896 | 0.98 | — | — | |
| SCHEMBL9119982 | 0.82 | ALOX15 (0.38) | — | |
| Hydrochloric Acid SCHEMBL9391723 | 0.79 | ALOX15 (0.36) | — | |
| SCHEMBL8518326 | 0.75 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL10829091 | 0.74 | ALOX15 (0.44) | — | |
| SCHEMBL8775141 | 0.74 | — | — | |
| SCHEMBL1673059 | 0.74 | ALOX15 (0.44) | — | |
| SCHEMBL10058642 | 0.66 | HRH3 (0.48) | — |
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-1995020353-A1 | FUNCTIONALIZED AZA-BIMACROCYCLIC LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-08-03 | — | — | WO | disclosed |