⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13135695 | 0.75 | — | — | |
| SCHEMBL20272446 | 0.73 | — | — | |
| SCHEMBL25778906 | 0.68 | — | — | |
| SCHEMBL4818546 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL17631081 | 0.65 | — | — | |
| SCHEMBL18337793 | 0.64 | CFTR (0.36) | — | |
| SCHEMBL17045312 | 0.62 | PI4KA (0.30) | — | |
| SCHEMBL21543629 | 0.62 | — | — | |
| SCHEMBL12919843 | 0.62 | — | — | |
| SCHEMBL5154495 | 0.62 | — | — |
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-20170145009-A1 | HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS | EFFECTOR THERAPEUTICS, INC. | 2017-05-25 | — | — | US | disclosed |