⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19625186 | 1.00 | — | — | |
| SCHEMBL19625187 | 1.00 | — | — | |
| SCHEMBL17829258 | 0.98 | — | — | |
| SCHEMBL17828666 | 0.89 | — | — | |
| SCHEMBL19625242 | 0.85 | — | — | |
| SCHEMBL19625240 | 0.85 | — | — | |
| SCHEMBL19625241 | 0.85 | — | — | |
| SCHEMBL17829286 | 0.85 | — | — | |
| SCHEMBL17828708 | 0.85 | — | — | |
| SCHEMBL17828668 | 0.85 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016094197-A1 | SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-16 | — | — | WO | disclosed |