⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23263140 | 0.54 | POLB (0.34) | — | |
| SCHEMBL24974761 | 0.51 | KDM4E (0.32) | — | |
| SCHEMBL6048225 | 0.48 | KDM4E (0.40) | — | |
| SCHEMBL29115820 | 0.47 | HCAR1 (0.43) | — | |
| SCHEMBL29010976 | 0.47 | MGLL (0.36) | — | |
| SCHEMBL17265901 | 0.47 | — | — | |
| SCHEMBL23261982 | 0.45 | POLB (0.32) | — | |
| SCHEMBL25157210 | 0.45 | BRD4 (0.43) | — | |
| SCHEMBL24805060 | 0.44 | NOTUM (0.39) | — | |
| SCHEMBL30145016 | 0.44 | TSHR (0.38) | — |
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-0809498-A1 | NOVEL PHARMACEUTICAL COMBINATION | Astra Aktiebolag (SE) | 1997-12-03 | — | — | EP | disclosed |
| WO-1996024355-A1 | NOVEL PHARMACEUTICAL COMBINATION | ASTRA AKTIEBOLAG (SE) | 1996-08-15 | — | — | WO | disclosed |