⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19986423 | 0.67 | — | — | |
| SCHEMBL664948 | 0.65 | — | — | |
| SCHEMBL19456030 | 0.63 | — | — | |
| SCHEMBL24372272 | 0.61 | — | — | |
| SCHEMBL10173737 | 0.61 | — | — | |
| SCHEMBL4937859 | 0.61 | — | — | |
| SCHEMBL549269 | 0.61 | — | — | |
| SCHEMBL17599093 | 0.61 | — | — | |
| SCHEMBL13964415 | 0.59 | CA12 (0.58) | — | |
| SCHEMBL111375 | 0.58 | — | — |
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-2017177144-A1 | NOVEL MATRIX METALLOPROTEINASE INHIBITORS AND IMAGING AGENTS, AND METHODS USING SAME | YALE UNIVERSITY (US) | 2017-10-12 | — | — | WO | disclosed |