⚠ 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 SCHEMBL2978434 | 0.87 | — | — | |
| Bromide SCHEMBL9082758 | 0.87 | — | — | |
| SCHEMBL6361698 | 0.87 | — | — | |
| SCHEMBL6358361 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5888711 | 0.72 | — | — | |
| SCHEMBL6055261 | 0.72 | — | — | |
| SCHEMBL8718026 | 0.71 | — | — | |
| SCHEMBL29019518 | 0.70 | — | — | |
| SCHEMBL9861019 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9079864 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020052446-A1 | Composition based on monofluorometal complexes | BAYER AKTIENGESELLSCHAFT (DE) | 2002-05-02 | — | — | US | disclosed |