⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL11399021 | 0.78 | — | — | |
| SCHEMBL64228 | 0.73 | — | — | |
| SCHEMBL256063 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL901105 | 0.69 | — | — | |
| Cyanamide SCHEMBL30536975 | 0.68 | — | — | |
| Cyanamide SCHEMBL1972 | 0.68 | — | — | |
| Cyanamide SCHEMBL28252461 | 0.68 | — | — | |
| Cyanamide SCHEMBL8859746 | 0.68 | — | — | |
| Cyanamide SCHEMBL415829 | 0.68 | — | — | |
| Water SCHEMBL29162933 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-8048897-A | — | — | None | — | — | JP | disclosed |
| JP-H0848897-A | REACTIVE DYE FOR INK JET PRINTING | HOECHST AG | 1996-02-20 | — | — | JP | disclosed |