⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19087688 | 0.72 | GAA (0.31) | — | |
| SCHEMBL10563056 | 0.61 | — | — | |
| SCHEMBL25363257 | 0.61 | — | — | |
| SCHEMBL10563065 | 0.61 | — | — | |
| SCHEMBL14829141 | 0.55 | ALDH1A1 (0.44) | — | |
| SCHEMBL16190279 | 0.54 | — | — | |
| SCHEMBL12345039 | 0.54 | — | — | |
| SCHEMBL9255336 | 0.54 | — | — | |
| SCHEMBL318757 | 0.54 | — | — | |
| SCHEMBL14275604 | 0.54 | — | — |
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-2017113288-A1 | FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-07-06 | — | — | WO | disclosed |