⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1524919 | 0.70 | — | — | |
| SCHEMBL2321946 | 0.66 | — | — | |
| SCHEMBL1524614 | 0.65 | — | — | |
| SCHEMBL27430783 | 0.65 | — | — | |
| SCHEMBL27948215 | 0.64 | — | — | |
| SCHEMBL27260132 | 0.62 | — | — | |
| SCHEMBL27948590 | 0.59 | — | — | |
| SCHEMBL3047023 | 0.58 | — | — | |
| SCHEMBL25371456 | 0.55 | — | — | |
| SCHEMBL9518646 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5955491-A | ADMINISTERING CATHEPSIN L INHIBITOR AND BONE RESORPTION INHIBITOR CONTAINING AN ALCOHOL OR ALDEHYDE DERIVATIVE, OR SALT THEREOF | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-09-21 | — | — | US | claimed |