⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17409306 | 0.85 | PDE4B (0.37) | — | |
| Hydrochloric Acid SCHEMBL30395172 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL29949511 | 0.84 | — | — | |
| SCHEMBL20165789 | 0.83 | PTGS2 (0.31) | — | |
| SCHEMBL21451181 | 0.83 | PTGS1 (0.31) | — | |
| SCHEMBL29873709 | 0.83 | PTGS2 (0.31) | — | |
| SCHEMBL14645995 | 0.81 | PTGS2 (0.30) | — | |
| SCHEMBL18772405 | 0.81 | PTGS1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL21433873 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29873974 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9469699-B2 | Catalysts | BOREALIS AG (AT) | 2016-10-18 | — | — | US | disclosed |
| US-20160024123-A1 | Asymmetrical Ligands | BOREALIS AG (AT) | 2016-01-28 | — | — | US | disclosed |
| US-20160002369-A1 | CATALYSTS | BOREALIS AG (AT) | 2016-01-07 | — | — | US | disclosed |