⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1315667 | 0.87 | — | — | |
| SCHEMBL3379304 | 0.85 | MMP13 (0.52) | — | |
| SCHEMBL1314036 | 0.85 | MMP13 (0.55) | — | |
| SCHEMBL1313851 | 0.82 | MMP13 (0.68) | — | |
| SCHEMBL1313714 | 0.78 | — | — | |
| SCHEMBL3375112 | 0.76 | MMP13 (0.51) | — | |
| SCHEMBL3378229 | 0.76 | MMP13 (0.68) | — | |
| SCHEMBL3372699 | 0.74 | MMP13 (0.56) | — | |
| SCHEMBL22628909 | 0.72 | ACHE (0.49) | — | |
| SCHEMBL1314443 | 0.71 | MMP13 (0.67) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2340243-B1 | HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2014-10-08 | — | — | EP | disclosed |
| US-8785489-B2 | Heteroaryl substituted indole compounds useful as MMP-13 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-22 | — | — | US | disclosed |
| WO-2010045188-A1 | HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-22 | — | — | WO | disclosed |