⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14819066 | 0.79 | — | — | |
| SCHEMBL26032184 | 0.78 | — | — | |
| SCHEMBL22911350 | 0.74 | — | — | |
| SCHEMBL18880890 | 0.74 | — | — | |
| SCHEMBL17935511 | 0.74 | — | — | |
| SCHEMBL1933273 | 0.73 | — | — | |
| SCHEMBL1933271 | 0.73 | — | — | |
| SCHEMBL25933792 | 0.71 | — | — | |
| SCHEMBL17993358 | 0.71 | — | — | |
| SCHEMBL2108891 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018118827-A1 | HETEROCYCLIC COMPOUNDS AS HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-06-28 | — | — | WO | disclosed |
| WO-2017136309-A1 | USE OF sGC STIMULATORS FOR THE TREATMENT OF NONALCOHOLIC STEATOHEPATITIS (NASH) | IRONWOOD PHARMACEUTICALS, INC. (US) | 2017-08-10 | — | — | WO | disclosed |
| EP-1473337-B1 | INK FOR INKJET RECORDING AND METHOD FOR INKJET RECORDING | FUJIFILM CORP (JP) | 2008-04-09 | — | — | EP | disclosed |