⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393271 | 0.87 | CHRM2 (0.42) | — | |
| SCHEMBL21393324 | 0.85 | CHRM2 (0.41) | — | |
| SCHEMBL21393325 | 0.84 | CHRM2 (0.43) | — | |
| SCHEMBL91599 | 0.81 | — | — | |
| SCHEMBL23175526 | 0.77 | NR2F2 (0.38) | — | |
| SCHEMBL827849 | 0.74 | — | — | |
| SCHEMBL12963497 | 0.74 | KDM4E (0.46) | — | |
| SCHEMBL23175988 | 0.74 | NOS3 (0.32) | — | |
| SCHEMBL3034540 | 0.73 | KDM4E (0.44) | — | |
| SCHEMBL11863300 | 0.73 | — | — |
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-20210094950-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | NATIONAL INSTITUTES OF HEALTH | 2021-04-01 | — | — | US | disclosed |
| WO-2019183245-A1 | KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2019-09-26 | — | — | WO | disclosed |