⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181354 | 0.84 | — | — | |
| SCHEMBL5551315 | 0.81 | — | — | |
| SCHEMBL5556710 | 0.81 | — | — | |
| SCHEMBL10458831 | 0.81 | — | — | |
| SCHEMBL29159261 | 0.81 | — | — | |
| SCHEMBL11650195 | 0.81 | — | — | |
| Ethylene SCHEMBL27794835 | 0.79 | ALDH1A1 (0.50) | — | |
| Propene SCHEMBL28606488 | 0.79 | — | — | |
| Phosphoric Acid SCHEMBL16965610 | 0.74 | ALDH1A1 (0.43) | — | |
| Propionic Acid SCHEMBL10938311 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254221-B1 | CONTRAST ENHANCEMENT LAYER COMPOSITIONS, ALKYLNITRONES, AND USE | MicroSi, Inc. (a Delaware corporation) (US) | 1992-05-13 | — | — | EP | disclosed |
| US-5106723-A | Contrast enhancement layer compositions, alkylnitrones, and use | MICROSI, INC. (US) | 1992-04-21 | — | — | US | disclosed |
| US-5002993-A | Contrast enhancement layer compositions, alkylnitrones, and use | MICROSI, INC. (US) | 1991-03-26 | — | — | US | disclosed |
| EP-0254221-A2 | Contrast enhancement layer compositions, alkylnitrones, and use | MicroSi, Inc. (a Delaware corporation) (US) | 1988-01-27 | — | — | EP | disclosed |