⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17008334 | 1.00 | — | — | |
| SCHEMBL18279709 | 0.78 | ALOX5AP (0.33) | — | |
| SCHEMBL17008335 | 0.72 | SLC6A2 (0.38) | — | |
| SCHEMBL16636574 | 0.61 | BTK (0.35) | — | |
| SCHEMBL18010294 | 0.61 | BTK (0.35) | — | |
| SCHEMBL27631603 | 0.59 | CYP11B2 (0.45) | — | |
| SCHEMBL317325 | 0.58 | TRPA1 (0.46) | — | |
| SCHEMBL28363931 | 0.57 | KDM5A (0.35) | — | |
| SCHEMBL28956931 | 0.57 | FFAR3 (0.37) | — | |
| SCHEMBL15378708 | 0.55 | LMNA (0.51) | — |
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-2015120580-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-08-20 | — | — | WO | disclosed |