⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10871152 | 0.81 | — | — | |
| SCHEMBL12820920 | 0.79 | KDM4E (0.60) | — | |
| SCHEMBL23287915 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL10575899 | 0.72 | — | — | |
| SCHEMBL12652113 | 0.70 | CDK1 (0.66) | — | |
| SCHEMBL28538636 | 0.69 | CDK1 (1.00) | — | |
| SCHEMBL8711490 | 0.68 | GPR84 (0.77) | — | |
| SCHEMBL19506129 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL13833302 | 0.66 | CDK1 (0.66) | — | |
| SCHEMBL4572376 | 0.66 | CDK1 (0.66) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120252791-A1 | Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain | CHILDREN'S MEDICAL CENTER CORPORATION | 2012-10-04 | — | — | US | disclosed |
| US-20120252791-A1 | Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain | CHILDREN'S MEDICAL CENTER CORPORATION | 2012-10-04 | — | — | US | disclosed |
| WO-2011035009-A1 | HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN | HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) | 2011-03-24 | — | — | WO | disclosed |