⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21945214 | 0.81 | — | — | |
| SCHEMBL25525738 | 0.67 | KDM4E (0.45) | — | |
| SCHEMBL19155573 | 0.67 | CES2 (0.41) | — | |
| SCHEMBL25493744 | 0.66 | — | — | |
| SCHEMBL18769071 | 0.63 | — | — | |
| SCHEMBL25887132 | 0.62 | — | — | |
| SCHEMBL10292638 | 0.62 | KDM4E (0.42) | — | |
| SCHEMBL23182104 | 0.61 | — | — | |
| SCHEMBL23046369 | 0.61 | KDM4E (0.44) | — | |
| SCHEMBL24575926 | 0.61 | KDM4E (0.44) | — |
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-20230357286-A1 | KETONE SYNTHESIS AND APPLICATIONS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-11-09 | — | — | US | disclosed |
| US-20230151128-A1 | NEAR INFRARED (NIR) LIGHT CONTROLLED RUTHENIUM CATALYZED OLEFIN METATHESIS | NATIONAL SCIENCE FOUNDATION | 2023-05-18 | — | — | US | disclosed |