⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20814139 | 0.76 | ARG1 (0.38) | — | |
| SCHEMBL25475620 | 0.69 | KDM4E (0.35) | — | |
| Hydrochloric Acid SCHEMBL31682183 | 0.66 | MMP2 (0.34) | — | |
| SCHEMBL27627772 | 0.66 | — | — | |
| SCHEMBL30747187 | 0.64 | ARG1 (0.33) | — | |
| SCHEMBL13990474 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL1359695 | 0.62 | ARG1 (0.53) | — | |
| SCHEMBL21661359 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL30085352 | 0.62 | ARG1 (0.53) | — | |
| SCHEMBL29640099 | 0.62 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111315762-A | Light-operated switch with affinity label and use method thereof | 加利福尼亚大学董事会 | 2020-06-19 | — | — | CN | disclosed |