⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2300960 | 0.90 | — | — | |
| SCHEMBL1372807 | 0.86 | — | — | |
| SCHEMBL11970594 | 0.86 | — | — | |
| SCHEMBL19277256 | 0.85 | — | — | |
| SCHEMBL34476132 | 0.77 | — | — | |
| SCHEMBL2331632 | 0.75 | — | — | |
| SCHEMBL20713832 | 0.71 | — | — | |
| SCHEMBL20713831 | 0.71 | CYP3A4 (0.34) | — | |
| SCHEMBL20971980 | 0.70 | — | — | |
| SCHEMBL31116468 | 0.70 | — | — |
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-10544155-B2 | Spirocyclic quinolizine derivatives useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-01-28 | — | — | US | disclosed |
| US-20190040076-A1 | Spirocyclic Quinolizine Derivatives Useful as HIV Integrase Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-02-07 | — | — | US | disclosed |