⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537875 | 0.95 | — | — | |
| SCHEMBL2696110 | 0.90 | — | — | |
| SCHEMBL28632549 | 0.90 | — | — | |
| SCHEMBL28548086 | 0.90 | — | — | |
| SCHEMBL294328 | 0.90 | — | — | |
| SCHEMBL28897763 | 0.90 | — | — | |
| SCHEMBL10585671 | 0.90 | — | — | |
| SCHEMBL625535 | 0.90 | — | — | |
| Ethylene SCHEMBL11267600 | 0.86 | — | — | |
| SCHEMBL2694175 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3950327-A | NEW NITRONES, THEIR MANUFACTURE AND THEIR USE FOR THE MANUFACTURE OF N-SUBSTITUTED ARALIPHATIC ALDEHYDE-NITRONES | CIBA-GEIGY CORPORATION (US) | 1976-04-13 | — | — | US | disclosed |