⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23767397 | 0.90 | — | — | |
| SCHEMBL18856015 | 0.78 | — | — | |
| SCHEMBL10110877 | 0.73 | PTPN1 (0.31) | — | |
| SCHEMBL14392241 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL14597208 | 0.67 | — | — | |
| SCHEMBL14627858 | 0.65 | — | — | |
| SCHEMBL16602269 | 0.64 | KDM4C (0.32) | — | |
| SCHEMBL14367912 | 0.63 | KDM4C (0.34) | — | |
| SCHEMBL10110874 | 0.63 | KDM4C (0.31) | — | |
| SCHEMBL18716200 | 0.61 | ALDH1A1 (0.36) | — |
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-20210255193-A1 | LYSINE REACTIVE PROBES AND USES THEREOF | THE SCRIPPS RESEARCH INSTITUTE | 2021-08-19 | — | — | US | disclosed |