⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL28541014 | 1.00 | ALDH1A1 (0.30) | — | |
| Cyclopropane SCHEMBL27675914 | 1.00 | — | — | |
| Cyclooctane SCHEMBL28059520 | 1.00 | ALDH1A1 (0.30) | — | |
| Isothiocyanate SCHEMBL17274364 | 1.00 | — | — | |
| Cyclohexane SCHEMBL330783 | 1.00 | ALDH1A1 (0.30) | — | |
| Cyclohexane SCHEMBL2219906 | 1.00 | — | — | |
| Isothiocyanate SCHEMBL133963 | 0.82 | — | — | |
| Isothiocyanate SCHEMBL8940171 | 0.82 | ALDH1A1 (0.43) | — | |
| Isothiocyanate SCHEMBL331482 | 0.82 | — | — | |
| Isothiocyanate SCHEMBL4002 | 0.82 | — | — |
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 8 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 |
| EP-1742627-A4 | PDE4B INHIBITORS AND USES THEREFOR | PLEXXIKON INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1742627-A2 | PDE4B INHIBITORS AND USES THEREFOR | PLEXXIKON, INC. (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2006078287-A9 | PDE4B INHIBITORS AND USES THEREFOR | PLEXXIKON INC (US) | 2006-08-31 | — | — | WO | disclosed |
| WO-2006078287-A2 | PDE4B INHIBITORS AND USES THEREFOR | PLEXXIKON, INC. (US) | 2006-07-27 | — | — | WO | disclosed |
| US-20060041006-A1 | PDE4B inhibitors and uses therefor | PLEXXIKON, INC. | 2006-02-23 | — | — | US | disclosed |