⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276671 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL12328049 | 0.74 | — | — | |
| SCHEMBL8289824 | 0.74 | — | — | |
| SCHEMBL12328053 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL25917659 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL25559928 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL21337950 | 0.70 | — | — | |
| SCHEMBL12328301 | 0.70 | ADH1B (0.31) | — | |
| SCHEMBL19117589 | 0.70 | — | — | |
| SCHEMBL19383830 | 0.70 | ADH1B (0.31) | — |
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-9913723-B2 | Patient selectable knee arthroplasty devices | CONFORMIS, INC. (US) | 2018-03-13 | — | — | US | disclosed |