⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4547131 | 0.76 | — | — | |
| SCHEMBL24349596 | 0.76 | — | — | |
| SCHEMBL2735830 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1117970 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL360047 | 0.74 | — | — | |
| SCHEMBL18756362 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL29173713 | 0.69 | — | — | |
| SCHEMBL25726623 | 0.68 | TRPM8 (0.30) | — | |
| SCHEMBL24279370 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL11251614 | 0.67 | — | — |
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-2020236253-A1 | BORONIC ESTER PRODRUGS AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2020-11-26 | — | — | WO | disclosed |