⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11523774 | 0.80 | — | — | |
| SCHEMBL2182857 | 0.75 | KDM4E (0.48) | — | |
| SCHEMBL1190969 | 0.68 | HPGDS (0.33) | — | |
| SCHEMBL2733130 | 0.67 | PDPK1 (0.38) | — | |
| SCHEMBL8062583 | 0.64 | NOTUM (0.38) | — | |
| SCHEMBL8183045 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL891261 | 0.63 | KDM4E (0.39) | — | |
| SCHEMBL7931429 | 0.63 | — | — | |
| SCHEMBL2821405 | 0.63 | NOTUM (0.38) | — | |
| SCHEMBL4843148 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060162095-A1 | Method of colouring porous material | CIBA SPECIALTY CHEMICALS CORP. | 2006-07-27 | — | — | US | claimed |
| US-20100227859-A1 | TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS | WYETH LLC | 2010-09-09 | — | — | US | disclosed |
| EP-2144893-A2 | TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008137816-A2 | TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS | WYETH (US) | 2008-11-13 | — | — | WO | disclosed |