⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4023019 | 0.92 | — | — | |
| SCHEMBL16268171 | 0.77 | — | — | |
| SCHEMBL19899566 | 0.71 | — | — | |
| SCHEMBL1670664 | 0.70 | — | — | |
| SCHEMBL630894 | 0.70 | — | — | |
| SCHEMBL28444613 | 0.69 | — | — | |
| SCHEMBL856758 | 0.68 | — | — | |
| SCHEMBL30379629 | 0.68 | — | — | |
| SCHEMBL11377367 | 0.68 | GSTP1 (0.30) | — | |
| SCHEMBL9770591 | 0.67 | — | — |
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-2013152039-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2013-10-10 | — | — | WO | disclosed |
| WO-1998004546-A1 | BENZIMIDAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTICAL USES THEREOF | SYNTHELABO (FR) | 1998-02-05 | — | — | WO | disclosed |