⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6171735 | 0.62 | — | — | |
| SCHEMBL7714332 | 0.59 | — | — | |
| SCHEMBL13659927 | 0.58 | NQO1 (0.30) | — | |
| SCHEMBL8273457 | 0.56 | NQO1 (0.41) | — | |
| SCHEMBL11937831 | 0.55 | — | — | |
| SCHEMBL17633894 | 0.53 | NQO1 (0.32) | — | |
| SCHEMBL4922604 | 0.52 | — | — | |
| SCHEMBL15407811 | 0.51 | TSHR (0.41) | — | |
| SCHEMBL740846 | 0.51 | NQO1 (0.41) | — | |
| SCHEMBL14228810 | 0.51 | NQO1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8470821-B2 | PDE4B inhibitors and uses therefor | PLEXXIKON INC. (US) | 2013-06-25 | — | — | US | disclosed |
| US-20090286793-A1 | PDE4B INHIBITORS AND USES THEREFOR | PLEXXIKON, INC. | 2009-11-19 | — | — | US | disclosed |
| US-7585859-B2 | PDE4B inhibitors and uses therefor | PLEXXIKON, INC. (US) | 2009-09-08 | — | — | US | disclosed |