⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5163982 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8152072 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8152067 | 0.97 | — | — | |
| SCHEMBL8468616 | 0.78 | — | — | |
| SCHEMBL29328581 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL18822214 | 0.74 | — | — | |
| SCHEMBL13178599 | 0.74 | SLC6A2 (0.31) | — | |
| SCHEMBL21914945 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL3365868 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL1988780 | 0.71 | — | — |
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-2017156074-A1 | CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF | BLADE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |