⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22942062 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL19133203 | 0.68 | — | — | |
| SCHEMBL12671681 | 0.66 | — | — | |
| SCHEMBL17336034 | 0.66 | — | — | |
| SCHEMBL13568451 | 0.64 | — | — | |
| SCHEMBL12274678 | 0.61 | — | — | |
| SCHEMBL14196584 | 0.61 | DRD1 (0.36) | — | |
| SCHEMBL21076548 | 0.58 | TSHR (0.32) | — | |
| SCHEMBL10266513 | 0.57 | — | — | |
| SCHEMBL19500886 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2349999-B1 | ALLOSTERIC PROTEIN KINASE MODULATORS | UNIV SAARLAND (DE) | 2016-01-27 | — | — | EP | disclosed |
| EP-1611180-B1 | EPOXY RESIN COMPOSITION | HUNTSMAN ADV MAT SWITZERLAND (CH) | 2013-04-03 | — | — | EP | disclosed |
| WO-2011143660-A2 | COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2011-11-17 | — | — | WO | disclosed |
| WO-2011109551-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-09-09 | — | — | WO | disclosed |