⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19824323 | 0.79 | — | — | |
| SCHEMBL764396 | 0.77 | — | — | |
| SCHEMBL9697490 | 0.77 | — | — | |
| SCHEMBL9697497 | 0.77 | — | — | |
| SCHEMBL16218834 | 0.72 | — | — | |
| SCHEMBL12069164 | 0.72 | — | — | |
| SCHEMBL8064294 | 0.72 | — | — | |
| SCHEMBL15395856 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL15396102 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL10069092 | 0.70 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2831067-B1 | SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF | UNIV MICHIGAN REGENTS (US) | 2017-11-01 | — | — | EP | disclosed |
| EP-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |