⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8215826 | 0.85 | — | — | |
| SCHEMBL12231800 | 0.78 | — | — | |
| SCHEMBL19250369 | 0.76 | — | — | |
| SCHEMBL19645440 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL21090063 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL24725969 | 0.74 | — | — | |
| SCHEMBL20878295 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL20878262 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL18808899 | 0.74 | — | — | |
| SCHEMBL11888287 | 0.71 | — | — |
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-20130046009-A1 | RHO KINASE INHIBITORS FOR TREATMENT OF MASTOCYTOSIS AND ACUTE MYELOID LEUKEMIA | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-02-21 | — | — | US | disclosed |