⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2423348 | 0.83 | DRD2 (0.32) | — | |
| SCHEMBL5316679 | 0.77 | QDPR (0.36) | — | |
| SCHEMBL9611071 | 0.75 | — | — | |
| SCHEMBL4083087 | 0.73 | PDK4 (0.48) | — | |
| SCHEMBL17000128 | 0.68 | PDK4 (0.44) | — | |
| SCHEMBL19372911 | 0.67 | HTR6 (0.44) | — | |
| SCHEMBL12312665 | 0.66 | LMNA (0.31) | — | |
| SCHEMBL19935119 | 0.66 | — | — | |
| SCHEMBL9611072 | 0.65 | — | — | |
| SCHEMBL18499729 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2238126-B1 | DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF | SANOFI SA (FR) | 2014-11-05 | — | — | EP | disclosed |
| EP-2238126-A2 | DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009112691-A2 | DERIVATIVES OF TETRAHYDROQUINOXALINE UREA, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF | SANOFI-AVENTIS (FR) | 2009-09-17 | — | — | WO | disclosed |