⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16637790 | 1.00 | — | — | |
| SCHEMBL11239300 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28949140 | 0.64 | — | — | |
| SCHEMBL9235 | 0.52 | — | — | |
| SCHEMBL7623419 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL25288112 | 0.50 | HIF1A (0.33) | — | |
| Hydrochloric Acid SCHEMBL564662 | 0.50 | — | — | |
| Ammonia Solution, Strong SCHEMBL18526747 | 0.50 | — | — | |
| SCHEMBL256778 | 0.48 | — | — | |
| SCHEMBL19908539 | 0.47 | — | — |
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-2015051479-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |