⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179855 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL29759243 | 0.92 | — | — | |
| Bromide SCHEMBL28140703 | 0.92 | — | — | |
| Trimethylammonium SCHEMBL27959014 | 0.81 | ALDH1A1 (0.38) | — | |
| Oxirane SCHEMBL5079565 | 0.81 | — | — | |
| Acetic Acid SCHEMBL11235050 | 0.78 | — | — | |
| Nonane SCHEMBL28778445 | 0.76 | TSHR (0.67) | — | |
| SCHEMBL11072503 | 0.76 | HIF1A (0.37) | — | |
| SCHEMBL11072506 | 0.76 | HIF1A (0.37) | — | |
| Spermine SCHEMBL27241394 | 0.74 | CA12 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240000726-A1 | COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES | VANDERBILT UNIVERSITY | 2024-01-04 | — | — | US | disclosed |
| US-11696903-B2 | Compounds and methods for scavenging dicarbonyl electrophiles | VANDERBILT UNIVERSITY (US) | 2023-07-11 | — | — | US | disclosed |
| US-20200383938-A1 | COMPOUNDS AND METHODS FOR SCAVENGING DICARBONYL ELECTROPHILES | VANDERBILT UNIVERSITY | 2020-12-10 | — | — | US | disclosed |