⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19640293 | 0.77 | CLK1 (0.34) | — | |
| SCHEMBL23348984 | 0.76 | CLK1 (0.37) | — | |
| SCHEMBL204484 | 0.74 | NOS1 (0.44) | — | |
| SCHEMBL111984 | 0.74 | DYRK1A (0.48) | — | |
| SCHEMBL2333507 | 0.74 | — | — | |
| SCHEMBL171634 | 0.74 | NOS1 (0.44) | — | |
| SCHEMBL29367601 | 0.74 | CYP1A2 (0.39) | — | |
| SCHEMBL242787 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL103309 | 0.74 | CYP1A2 (0.39) | — | |
| SCHEMBL3824241 | 0.74 | — | — |
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-1272827-A1 | ANALYTE DETECTION & APPARATUS THEREFOR | UNIVERSITY OF STRATHCLYDE (GB) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001077650-A1 | ANALYTE DETECTION & APPARATUS THEREFOR | UNIVERSITY OF STRATHCLYDE (GB) | 2001-10-18 | — | — | WO | disclosed |