⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16638003 | 0.84 | — | — | |
| SCHEMBL16635750 | 0.81 | DGAT1 (0.31) | — | |
| SCHEMBL16636063 | 0.80 | MTOR (0.32) | — | |
| SCHEMBL16635749 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL16636024 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL16636025 | 0.77 | DGAT1 (0.30) | — | |
| SCHEMBL16638099 | 0.76 | CTSK (0.36) | — | |
| SCHEMBL16636187 | 0.72 | DGAT1 (0.31) | — | |
| SCHEMBL16635733 | 0.72 | DGAT1 (0.31) | — | |
| SCHEMBL16635992 | 0.71 | PIK3CA (0.30) | — |
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 |