⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16185200 | 1.00 | — | — | |
| SCHEMBL8515463 | 0.69 | — | — | |
| SCHEMBL8515466 | 0.69 | — | — | |
| SCHEMBL18555596 | 0.69 | — | — | |
| SCHEMBL2351657 | 0.64 | — | — | |
| SCHEMBL18304586 | 0.63 | — | — | |
| SCHEMBL18588955 | 0.63 | — | — | |
| SCHEMBL19006141 | 0.63 | — | — | |
| SCHEMBL5496490 | 0.63 | — | — | |
| SCHEMBL10296436 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9493479-B2 | Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160060272-A1 | 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-03-03 | — | — | US | disclosed |