⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10863261 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL6118424 | 0.67 | — | — | |
| SCHEMBL25398039 | 0.63 | — | — | |
| SCHEMBL29428946 | 0.60 | — | — | |
| SCHEMBL28760021 | 0.58 | EPHX2 (0.32) | — | |
| SCHEMBL16024388 | 0.56 | ALDH1A1 (0.33) | — | |
| Sulfuric Acid SCHEMBL8517991 | 0.54 | — | — | |
| SCHEMBL28399540 | 0.52 | — | — | |
| SCHEMBL11487102 | 0.51 | ALDH1A1 (0.31) | — | |
| SCHEMBL6846820 | 0.50 | ALDH1A1 (0.35) | — |
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 2 patents. 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 |
| WO-2012068209-A2 | BISTHIAZOLE INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |