⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21451187 | 0.82 | — | — | |
| SCHEMBL15424253 | 0.81 | PDE4A (0.34) | — | |
| SCHEMBL15423157 | 0.77 | PDE4A (0.33) | — | |
| SCHEMBL21218831 | 0.75 | PDE4A (0.32) | — | |
| SCHEMBL15411135 | 0.75 | PDE4A (0.32) | — | |
| Hydrochloric Acid SCHEMBL15411134 | 0.75 | PDE4B (0.32) | — | |
| SCHEMBL9960019 | 0.75 | PDE4A (0.31) | — | |
| Hydrochloric Acid SCHEMBL2592078 | 0.75 | PDE4A (0.31) | — | |
| SCHEMBL27432748 | 0.74 | PDE4A (0.32) | — | |
| SCHEMBL2592076 | 0.74 | PDE4A (0.30) | — |
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-2012084961-A1 | BRIDGED METALLOCENE CATALYSTS | BOREALIS AG (AT) | 2012-06-28 | — | — | WO | disclosed |