⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5188349 | 0.86 | — | — | |
| SCHEMBL797729 | 0.81 | — | — | |
| SCHEMBL818194 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7938590 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL818195 | 0.77 | — | — | |
| SCHEMBL7217385 | 0.75 | CYP2A6 (0.30) | — | |
| Bromide SCHEMBL8604747 | 0.75 | — | — | |
| SCHEMBL7938587 | 0.75 | — | — | |
| Bromide SCHEMBL27464631 | 0.73 | PDCD1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27477688 | 0.73 | PDCD1 (0.33) | — |
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-5770752-A | Process for reducing the concentration of by-products in product mixtures | TARGOR GMBH (DE) | 1998-06-23 | — | — | US | disclosed |