⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27654325 | 0.97 | — | — | |
| SCHEMBL1261339 | 0.64 | — | — | |
| SCHEMBL7440129 | 0.64 | — | — | |
| SCHEMBL7334187 | 0.62 | — | — | |
| SCHEMBL5731756 | 0.62 | — | — | |
| Water SCHEMBL27549251 | 0.61 | — | — | |
| Hydrogen Sulfide SCHEMBL27522877 | 0.61 | — | — | |
| Water SCHEMBL8221745 | 0.59 | — | — | |
| SCHEMBL11843672 | 0.57 | — | — | |
| SCHEMBL7366713 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1922178-A | Piperazine, [1,4] diazepane , [1,4] diazacyclooctane ([1,4] diazocane), and [1,5] diazacyclooctane ([1,5] diazocane) fused imidazo ring compounds | 3M INNOVATIVE PROPERTIES CO (US) | 2007-02-28 | — | — | CN | disclosed |