⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18506673 | 0.93 | — | — | |
| SCHEMBL18506671 | 0.92 | — | — | |
| SCHEMBL18506675 | 0.92 | — | — | |
| SCHEMBL18506752 | 0.89 | — | — | |
| SCHEMBL18506761 | 0.89 | — | — | |
| SCHEMBL18506654 | 0.89 | — | — | |
| SCHEMBL18506699 | 0.89 | — | — | |
| SCHEMBL15928490 | 0.89 | — | — | |
| SCHEMBL18506755 | 0.88 | — | — | |
| SCHEMBL18506756 | 0.88 | — | — |
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-2940019-B1 | SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC (JP) | 2018-03-28 | — | — | EP | disclosed |
| US-20170044156-A1 | SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2017-02-16 | — | — | US | disclosed |