⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21352630 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL9470805 | 0.75 | — | — | |
| SCHEMBL23087054 | 0.75 | — | — | |
| Water SCHEMBL21352585 | 0.75 | — | — | |
| SCHEMBL21352602 | 0.75 | — | — | |
| SCHEMBL10634983 | 0.71 | — | — | |
| SCHEMBL1548287 | 0.71 | — | — | |
| SCHEMBL579118 | 0.71 | — | — | |
| SCHEMBL6030422 | 0.71 | — | — | |
| SCHEMBL11582574 | 0.71 | — | — |
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-5192365-A | BUFF RUTILE PIGMENT COMPOSITIONS | ENGELHARD CORPORATION (US) | 1993-03-09 | — | — | US | disclosed |