⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19973233 | 0.74 | — | — | |
| Ethylenediamine SCHEMBL10389751 | 0.74 | — | — | |
| SCHEMBL8580125 | 0.68 | — | — | |
| SCHEMBL21174915 | 0.68 | — | — | |
| SCHEMBL7743012 | 0.68 | — | — | |
| SCHEMBL445532 | 0.66 | — | — | |
| SCHEMBL450516 | 0.66 | — | — | |
| SCHEMBL448318 | 0.66 | — | — | |
| SCHEMBL448029 | 0.66 | — | — | |
| SCHEMBL445969 | 0.66 | — | — |
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-4935165-A | PROVIDING A NITROGENOUS BASE GAS | TORAY SILICONE COMPANY, LTD. (JP) | 1990-06-19 | — | — | US | disclosed |