⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL152847 | 0.73 | — | — | |
| SCHEMBL55913 | 0.71 | — | — | |
| SCHEMBL8330698 | 0.71 | — | — | |
| Water SCHEMBL16103958 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL3084900 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1845285 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL285086 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL4696499 | 0.68 | GMNN (0.32) | — | |
| SCHEMBL9700127 | 0.67 | — | — | |
| SCHEMBL1883921 | 0.65 | — | — |
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-4670882-A | Dyestuff laser | BAYER AKTIENGESELLSCHAFT (DE) | 1987-06-02 | — | — | US | disclosed |