⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14192214 | 0.79 | KDM4E (0.45) | — | |
| SCHEMBL6009315 | 0.78 | — | — | |
| SCHEMBL9948686 | 0.78 | — | — | |
| SCHEMBL16221632 | 0.76 | QPCT (0.43) | — | |
| SCHEMBL11817859 | 0.76 | EPHX1 (0.48) | — | |
| SCHEMBL10942127 | 0.76 | — | — | |
| SCHEMBL20017637 | 0.76 | — | — | |
| SCHEMBL4580302 | 0.75 | — | — | |
| SCHEMBL24285431 | 0.74 | EPHX1 (0.52) | — | |
| SCHEMBL6398229 | 0.74 | EPHX1 (0.52) | — |
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-2017049245-A2 | COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS | MODERNATX, INC. (US) | 2017-03-23 | — | — | WO | disclosed |