⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8846758 | 1.00 | — | — | |
| SCHEMBL20805123 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL29236044 | 0.82 | — | — | |
| SCHEMBL1499249 | 0.80 | — | — | |
| SCHEMBL8125240 | 0.80 | — | — | |
| SCHEMBL9055613 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL11111013 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL26364 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL10635756 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL27310323 | 0.78 | ALDH1A1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9777024-B2 | Heteroaryl inhibitors of PDE4 | Tetra Discovery Partners, LLC (US) | 2017-10-03 | — | — | US | disclosed |
| US-20160137672-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners, LLC | 2016-05-19 | — | — | US | disclosed |
| US-9221843-B2 | Heteroaryl inhibitors of PDE4 | Tetra Discovery Partners, LLC (US) | 2015-12-29 | — | — | US | disclosed |
| US-20150119362-A1 | HETEROARYL INHIBITORS OF PDE4 | Tetra Discovery Partners, LLC | 2015-04-30 | — | — | US | disclosed |
| WO-2014066659-A9 | HETEROARYL INHIBITORS OF PDE4 | TETRA DISCOVERY PARTNERS, LLC. (US) | 2015-02-12 | — | — | WO | disclosed |