⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23652063 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL20215056 | 0.72 | ACHE (0.36) | — | |
| SCHEMBL23265113 | 0.71 | TSHR (0.31) | — | |
| SCHEMBL25095480 | 0.71 | — | — | |
| SCHEMBL24157645 | 0.70 | CTSS (0.30) | — | |
| SCHEMBL25807607 | 0.70 | — | — | |
| SCHEMBL18812115 | 0.66 | DPP4 (0.32) | — | |
| SCHEMBL22922495 | 0.66 | — | — | |
| SCHEMBL25095320 | 0.64 | — | — | |
| SCHEMBL27249327 | 0.64 | HTT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210317143-A9 | BORONIC ESTER PRODRUGS AND USES THEREOF | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2021-10-14 | — | — | US | disclosed |
| US-20200369685-A1 | BORONIC ESTER PRODRUGS AND USES THEREOF | MASSACHUSETTS INST TECHNOLOGY (US) | 2020-11-26 | — | — | US | disclosed |