⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3582725 | 0.77 | — | — | |
| SCHEMBL3107891 | 0.64 | CHRM5 (0.31) | — | |
| SCHEMBL2340625 | 0.60 | — | — | |
| SCHEMBL23435612 | 0.59 | HTR2A (0.33) | — | |
| SCHEMBL29157648 | 0.59 | — | — | |
| SCHEMBL17969241 | 0.59 | — | — | |
| SCHEMBL9416877 | 0.59 | — | — | |
| SCHEMBL29137617 | 0.57 | NISCH (0.38) | — | |
| SCHEMBL433764 | 0.54 | — | — | |
| SCHEMBL3805552 | 0.51 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110214142-B | Tetracyclic heterocyclic compounds useful as HIV integrase inhibitors | 默沙东公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-2391212-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010088167-A1 | BRIDGED COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-05 | — | — | WO | disclosed |