⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1218419 | 0.74 | — | — | |
| SCHEMBL19441230 | 0.74 | — | — | |
| SCHEMBL945745 | 0.72 | — | — | |
| SCHEMBL9190435 | 0.72 | — | — | |
| SCHEMBL1219852 | 0.70 | — | — | |
| SCHEMBL1218421 | 0.69 | — | — | |
| SCHEMBL19708751 | 0.69 | — | — | |
| SCHEMBL7566680 | 0.67 | CYP1A2 (0.38) | — | |
| SCHEMBL9082591 | 0.67 | — | — | |
| SCHEMBL23720954 | 0.65 | — | — |
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-2021163629-A1 | INHIBITORS OF ULK1/2 AND METHODS OF USING SAME | SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) | 2021-08-19 | — | — | WO | disclosed |
| EP-2933257-B1 | EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD FOR PREPARING SAME, COMPOSITION COMPRISING SAME, CURED PRODUCT MADE THEREFROM, AND USE THEREOF | KOREA IND TECH INST (KR) | 2017-07-26 | — | — | EP | disclosed |