⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8471185 | 0.76 | HTR5A (0.33) | — | |
| SCHEMBL9453875 | 0.76 | MAPT (0.37) | — | |
| SCHEMBL14614750 | 0.76 | ADAMTS4 (0.32) | — | |
| SCHEMBL16882519 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL13833536 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL14392029 | 0.76 | — | — | |
| SCHEMBL18885161 | 0.76 | MEN1 (0.37) | — | |
| SCHEMBL19562149 | 0.76 | — | — | |
| SCHEMBL18995432 | 0.76 | PDK2 (0.38) | — | |
| SCHEMBL13791237 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2467376-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Kalypsys, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |
| WO-2011093924-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC (US) | 2011-08-04 | — | — | WO | disclosed |