⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813378 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL126792 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL827285 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL95635 | 0.83 | — | — | |
| SCHEMBL27944533 | 0.80 | — | — | |
| SCHEMBL11403036 | 0.80 | — | — | |
| SCHEMBL28876128 | 0.80 | — | — | |
| SCHEMBL28707610 | 0.80 | — | — | |
| SCHEMBL16329880 | 0.80 | — | — | |
| Formamide SCHEMBL28186262 | 0.77 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11192849-B2 | Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2021-12-07 | — | — | US | disclosed |
| US-20190292135-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2019-09-26 | — | — | US | disclosed |
| US-10259775-B2 | Compounds, compositions, and methods for modulating ferroptosis and treating excitotoxic disorders | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-04-16 | — | — | US | disclosed |
| US-20160297748-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2016-10-13 | — | — | US | disclosed |
| US-20160297748-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2016-10-13 | — | — | US | disclosed |
| WO-2009138511-A1 | LONG-ACTING Y2 AND/OR Y4 RECEPTOR AGONISTS | NOVO NORDISK A/S (DK) | 2009-11-19 | — | — | WO | disclosed |