⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL373964 | 0.83 | — | — | |
| SCHEMBL14734141 | 0.78 | LATS1 (0.33) | — | |
| SCHEMBL30639334 | 0.78 | LATS1 (0.33) | — | |
| SCHEMBL31622422 | 0.76 | — | — | |
| SCHEMBL31491306 | 0.75 | KMT2A (0.32) | — | |
| SCHEMBL31083997 | 0.74 | PDE4B (0.33) | — | |
| SCHEMBL31630700 | 0.73 | — | — | |
| SCHEMBL187242 | 0.73 | — | — | |
| SCHEMBL31622413 | 0.73 | — | — | |
| SCHEMBL29277041 | 0.72 | PDE4B (0.34) | — |
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 |