⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17546642 | 0.74 | CYP1A2 (0.32) | — | |
| SCHEMBL18879052 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL17545819 | 0.69 | — | — | |
| SCHEMBL18879003 | 0.68 | PARP1 (0.34) | — | |
| SCHEMBL7586931 | 0.67 | CHEK1 (0.30) | — | |
| SCHEMBL24639 | 0.62 | PI4KA (0.42) | — | |
| SCHEMBL12692616 | 0.61 | — | — | |
| SCHEMBL17595861 | 0.61 | ALDH1A1 (0.31) | — | |
| SCHEMBL15598533 | 0.58 | YTHDC1 (0.33) | — | |
| SCHEMBL922887 | 0.58 | GAA (0.42) | — |
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 |