⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17828706 | 0.92 | — | — | |
| SCHEMBL17829421 | 0.91 | — | — | |
| SCHEMBL17829469 | 0.89 | — | — | |
| SCHEMBL19625234 | 0.89 | — | — | |
| SCHEMBL17828705 | 0.87 | — | — | |
| SCHEMBL17828704 | 0.86 | — | — | |
| SCHEMBL15928609 | 0.81 | — | — | |
| SCHEMBL15933980 | 0.81 | — | — | |
| SCHEMBL17829232 | 0.81 | — | — | |
| SCHEMBL19625236 | 0.81 | — | — |
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-20170334924-A1 | Spirocyclic Heterocyclic Compounds Useful As HIV Integrase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-11-23 | — | — | US | disclosed |
| WO-2016094197-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | disclosed |