⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13552154 | 0.69 | — | — | |
| SCHEMBL11034239 | 0.63 | MAPT (0.34) | — | |
| SCHEMBL17498271 | 0.60 | — | — | |
| SCHEMBL6784153 | 0.57 | NISCH (0.37) | — | |
| SCHEMBL9612708 | 0.57 | — | — | |
| SCHEMBL15099958 | 0.56 | CRBN (0.40) | — | |
| SCHEMBL16922213 | 0.56 | — | — | |
| SCHEMBL15439039 | 0.54 | — | — | |
| SCHEMBL11133453 | 0.54 | BACE1 (0.41) | — | |
| SCHEMBL4195110 | 0.54 | — | — |
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-1259510-A2 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2002-11-27 | — | — | EP | disclosed |
| WO-2001066544-A2 | TRICYCLIC DIHYDROPYRAZOLONE AND TRICYCLIC DIHYDROISOXAZOLONE POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2001-09-13 | — | — | WO | disclosed |