⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9499149 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL23519932 | 0.72 | L3MBTL1 (0.31) | — | |
| SCHEMBL14048601 | 0.72 | L3MBTL1 (0.31) | — | |
| SCHEMBL12166914 | 0.71 | CA1 (0.37) | — | |
| SCHEMBL19494958 | 0.71 | — | — | |
| SCHEMBL19019044 | 0.70 | — | — | |
| SCHEMBL14197692 | 0.70 | — | — | |
| SCHEMBL31483455 | 0.70 | KDM1A (0.32) | — | |
| SCHEMBL7972779 | 0.69 | — | — | |
| SCHEMBL7972784 | 0.69 | — | — |
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-3553133-A1 | POLYMER COMPOSITIONS AND METHODS | SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) | 2019-10-16 | — | — | EP | disclosed |
| EP-1487802-B1 | 2,3-Diaryl-pyrazolidine derivatives as neurotensin degrading enzyme inhibitors | ABBOTT HEALTHCARE PRODUCTS BV (NL) | 2010-12-29 | — | — | EP | disclosed |