⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20457849 | 0.75 | — | — | |
| SCHEMBL11947577 | 0.72 | — | — | |
| SCHEMBL14215996 | 0.71 | CYP1A2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28297019 | 0.69 | CYP1A2 (0.37) | — | |
| SCHEMBL18829481 | 0.69 | — | — | |
| SCHEMBL91645 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL12673903 | 0.69 | — | — | |
| SCHEMBL91646 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL14113760 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL28333384 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120264704-A1 | SUBSTITUTED DIHYDROPYRAZOLONES AND USE THEREOF AS HIF-PROLYL-4 -HYDROXYLASE INHIBITORS | BAYER SCHERING PHARMA AG (DE) | 2012-10-18 | — | — | US | disclosed |