⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL74320 | 0.73 | — | — | |
| SCHEMBL25944386 | 0.73 | — | — | |
| SCHEMBL14649482 | 0.73 | — | — | |
| SCHEMBL74321 | 0.73 | — | — | |
| SCHEMBL24850316 | 0.73 | — | — | |
| SCHEMBL3108319 | 0.73 | KDM4E (0.45) | — | |
| Hydrochloric Acid SCHEMBL20945109 | 0.71 | ALDH1A1 (0.40) | — | |
| SCHEMBL8486835 | 0.70 | — | — | |
| SCHEMBL27650121 | 0.70 | PTGS2 (0.33) | — | |
| SCHEMBL7977864 | 0.70 | MMP2 (0.47) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100279986-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-11-04 | — | — | US | disclosed |
| US-7803793-B2 | Heterocyclic derived metalloprotease inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2010-09-28 | — | — | US | disclosed |
| EP-2089365-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2009-08-19 | — | — | EP | disclosed |
| CN-101484165-A | Methods and composition for treatment of inflammatory pain | CNSBIO PTY LTD (AU) | 2009-07-15 | — | — | CN | disclosed |
| US-20080103129-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-05-01 | — | — | US | disclosed |
| WO-2008045668-A1 | HETEROCYCLIC DERIVED METALLOPROTEASE INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-04-17 | — | — | WO | disclosed |