⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8891701 | 0.87 | DPP4 (0.30) | — | |
| SCHEMBL8900909 | 0.84 | RECQL (0.31) | — | |
| SCHEMBL8901310 | 0.84 | GAA (0.33) | — | |
| SCHEMBL8891411 | 0.82 | MEN1 (0.32) | — | |
| SCHEMBL8892402 | 0.82 | GRM2 (0.33) | — | |
| SCHEMBL8892810 | 0.82 | GRM2 (0.33) | — | |
| SCHEMBL8891969 | 0.81 | — | — | |
| SCHEMBL8764447 | 0.81 | — | — | |
| SCHEMBL8892694 | 0.80 | — | — | |
| SCHEMBL8901107 | 0.79 | CTSC (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-1997017950-A1 | SHOULDER PROSTHESIS | ELI LILLY AND COMPANY (US) | 1997-05-22 | — | — | WO | disclosed |