⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13286180 | 0.81 | — | — | |
| SCHEMBL11029765 | 0.77 | — | — | |
| SCHEMBL104763 | 0.67 | PYCR1 (0.40) | — | |
| SCHEMBL21573664 | 0.62 | — | — | |
| SCHEMBL10887087 | 0.62 | — | — | |
| SCHEMBL9753489 | 0.61 | CA12 (0.38) | — | |
| SCHEMBL313460 | 0.61 | — | — | |
| SCHEMBL8392822 | 0.61 | — | — | |
| SCHEMBL6702370 | 0.61 | — | — | |
| SCHEMBL1049888 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013109972-A2 | THERAPEUTIC COMPOUNDS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2013-07-25 | — | — | WO | disclosed |
| WO-2012034116-A2 | SMALL MOLECULES AS EPIGENETIC MODULATORS OF LYSINE-SPECIFIC DEMETHYLASE 1 AND METHODS OF TREATING DISORDERS | THE JOHNS HOPKINS UNIVERSITY (US) | 2012-03-15 | — | — | WO | disclosed |