⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16270970 | 0.74 | — | — | |
| SCHEMBL30656195 | 0.74 | — | — | |
| SCHEMBL27014225 | 0.74 | — | — | |
| SCHEMBL1348465 | 0.74 | — | — | |
| SCHEMBL23037189 | 0.70 | — | — | |
| SCHEMBL7709627 | 0.70 | — | — | |
| SCHEMBL31309382 | 0.70 | — | — | |
| SCHEMBL13180944 | 0.70 | — | — | |
| SCHEMBL1750877 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL22042471 | 0.65 | ALDH1A1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2400961-B1 | MEDICINE COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS | BOEHRINGER INGELHEIM INT (DE) | 2017-11-22 | — | — | EP | disclosed |