⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20223726 | 0.77 | — | — | |
| SCHEMBL21475567 | 0.74 | — | — | |
| SCHEMBL18124965 | 0.72 | — | — | |
| SCHEMBL21475627 | 0.71 | — | — | |
| SCHEMBL14467775 | 0.68 | — | — | |
| SCHEMBL20223754 | 0.67 | — | — | |
| SCHEMBL15381291 | 0.65 | KMT2A (0.38) | — | |
| SCHEMBL22872637 | 0.64 | — | — | |
| SCHEMBL19214083 | 0.64 | — | — | |
| SCHEMBL19217076 | 0.64 | KMT2A (0.32) | — |
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-10479801-B2 | Tetracyclic heterocycle compounds useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2019-11-19 | — | — | US | disclosed |
| US-20180155365-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-07 | — | — | US | disclosed |