⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18156886 | 0.79 | — | — | |
| SCHEMBL11932134 | 0.79 | — | — | |
| SCHEMBL14993142 | 0.78 | BRS3 (0.31) | — | |
| SCHEMBL3398343 | 0.67 | — | — | |
| SCHEMBL9055149 | 0.67 | — | — | |
| SCHEMBL12824639 | 0.67 | — | — | |
| SCHEMBL22940033 | 0.64 | PARP1 (0.33) | — | |
| SCHEMBL24690676 | 0.63 | — | — | |
| SCHEMBL11927758 | 0.62 | — | — | |
| SCHEMBL30523394 | 0.60 | — | — |
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-2012068204-A1 | FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |