⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17244611 | 0.78 | — | — | |
| SCHEMBL10130554 | 0.77 | — | — | |
| SCHEMBL13980594 | 0.72 | — | — | |
| SCHEMBL10598577 | 0.71 | — | — | |
| SCHEMBL14870480 | 0.69 | CYP2D6 (0.30) | — | |
| SCHEMBL22710246 | 0.69 | — | — | |
| SCHEMBL13979295 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL14866279 | 0.69 | — | — | |
| SCHEMBL9794536 | 0.67 | — | — | |
| SCHEMBL14866231 | 0.65 | TSHR (0.30) | — |
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-1973906-A1 | HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE | Virochem Pharma Inc. (CA) | 2008-10-01 | — | — | EP | disclosed |
| WO-2006066414-A1 | HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE | VIROCHEM PHARMA INC. (CA) | 2006-06-29 | — | — | WO | disclosed |