⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2959182 | 0.70 | GPR84 (0.50) | — | |
| SCHEMBL23395179 | 0.70 | — | — | |
| SCHEMBL18774961 | 0.69 | PDPK1 (0.52) | — | |
| SCHEMBL18774962 | 0.69 | DAO (0.64) | — | |
| SCHEMBL8516381 | 0.69 | — | — | |
| SCHEMBL14540067 | 0.69 | — | — | |
| SCHEMBL11537377 | 0.67 | PDPK1 (0.56) | — | |
| SCHEMBL6446001 | 0.66 | GPR84 (0.59) | — | |
| SCHEMBL19559209 | 0.65 | SOD1 (0.70) | — | |
| SCHEMBL21961223 | 0.64 | SOD1 (0.49) | — |
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 |