⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1433663 | 1.00 | MEN1 (0.75) | — | |
| Fluoride Ion SCHEMBL30618657 | 0.94 | — | — | |
| Water SCHEMBL9447327 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1082563 | 0.94 | — | — | |
| SCHEMBL31709992 | 0.93 | MEN1 (0.86) | — | |
| SCHEMBL136652 | 0.93 | — | — | |
| SCHEMBL14916717 | 0.93 | MEN1 (0.86) | — | |
| SCHEMBL9093617 | 0.93 | MEN1 (0.86) | — | |
| SCHEMBL25220265 | 0.86 | MEN1 (0.75) | — | |
| SCHEMBL1772332 | 0.86 | MEN1 (0.75) | — |
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-20050119132-A1 | Method and apparatus for preparing spherical crystalline fine particles | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2005-06-02 | — | — | US | disclosed |