⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19597065 | 1.00 | — | — | |
| SCHEMBL23557741 | 0.65 | MTNR1A (0.33) | — | |
| SCHEMBL10238587 | 0.60 | — | — | |
| SCHEMBL25994335 | 0.58 | SAT1 (0.38) | — | |
| SCHEMBL24129485 | 0.58 | SAT1 (0.38) | — | |
| SCHEMBL14269728 | 0.57 | CD274 (0.43) | — | |
| SCHEMBL21290617 | 0.57 | CD274 (0.43) | — | |
| SCHEMBL21673405 | 0.57 | CD274 (0.43) | — | |
| SCHEMBL18579219 | 0.57 | — | — | |
| SCHEMBL24660009 | 0.56 | CD274 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3330272-A1 | FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-06 | — | — | EP | disclosed |