⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2367455 | 0.95 | GRIN2B (0.30) | — | |
| SCHEMBL239129 | 0.95 | GRIN2B (0.30) | — | |
| SCHEMBL5404187 | 0.84 | — | — | |
| SCHEMBL2492666 | 0.80 | — | — | |
| SCHEMBL3190616 | 0.79 | — | — | |
| SCHEMBL1150703 | 0.79 | — | — | |
| SCHEMBL1150705 | 0.79 | — | — | |
| SCHEMBL933448 | 0.79 | — | — | |
| SCHEMBL17823252 | 0.79 | MEN1 (0.33) | — | |
| SCHEMBL17259076 | 0.78 | HSD11B1 (0.36) | — |
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-20160137666-A1 | SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS | SHIONOGI & CO., LTD. (JP) | 2016-05-19 | — | — | US | disclosed |
| US-9273065-B2 | Substituted pyrido[1',2':4,5]pyrazino[1,2-a]pyrimidines as HIV integrase inhibitors | SHIONOGI & CO., LTD. (JP) | 2016-03-01 | — | — | US | disclosed |
| US-8129385-B2 | Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness | SHIONOGI & CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |