⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22081747 | 1.00 | — | — | |
| SCHEMBL9724519 | 0.81 | — | — | |
| SCHEMBL19484299 | 0.80 | — | — | |
| SCHEMBL8277440 | 0.80 | — | — | |
| SCHEMBL277505 | 0.80 | — | — | |
| SCHEMBL2849371 | 0.78 | — | — | |
| SCHEMBL8608916 | 0.78 | — | — | |
| SCHEMBL787989 | 0.78 | — | — | |
| SCHEMBL5319869 | 0.77 | SLC7A5 (0.50) | — | |
| SCHEMBL5319867 | 0.77 | SLC7A5 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8637550-B2 | Heteroaryl diamide compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-01-28 | — | — | US | disclosed |