⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2131664 | 0.75 | — | — | |
| SCHEMBL9925417 | 0.75 | — | — | |
| SCHEMBL1475136 | 0.75 | — | — | |
| SCHEMBL13845083 | 0.71 | — | — | |
| SCHEMBL2093318 | 0.71 | — | — | |
| SCHEMBL1789332 | 0.70 | — | — | |
| SCHEMBL11186584 | 0.69 | ALDH1A1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL15618909 | 0.69 | CYP3A4 (0.35) | — | |
| SCHEMBL20764816 | 0.69 | CA2 (0.34) | — | |
| SCHEMBL31094645 | 0.66 | LTB4R (0.32) | — |
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-2010148488-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES | MERCK FROSST CANADA LTD. (CA) | 2010-12-29 | — | — | WO | disclosed |