⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3730203 | 0.80 | GPR84 (0.35) | — | |
| SCHEMBL7757567 | 0.78 | — | — | |
| SCHEMBL7948382 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL7035805 | 0.76 | — | — | |
| SCHEMBL8060205 | 0.75 | — | — | |
| SCHEMBL5231214 | 0.75 | — | — | |
| SCHEMBL7958275 | 0.74 | BRD4 (0.32) | — | |
| SCHEMBL1110825 | 0.74 | DRD2 (0.34) | — | |
| SCHEMBL6024611 | 0.72 | POLB (0.35) | — | |
| SCHEMBL10941006 | 0.71 | POLB (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7232663-B2 | Assays employing novel substrates for measuring P450-mediated N-dealkylation | THE UNIVERSITY OF WYOMING (US) | 2007-06-19 | — | — | US | disclosed |
| US-20070015235-A1 | Assays employing novel substrates for measuring P450-mediated N-dealkylation | UNIVERSITY OF WYOMING, THE | 2007-01-18 | — | — | US | disclosed |