⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15525400 | 0.77 | — | — | |
| SCHEMBL13482801 | 0.77 | — | — | |
| SCHEMBL13539959 | 0.77 | — | — | |
| SCHEMBL19443267 | 0.75 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL23923852 | 0.75 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL23924526 | 0.75 | PTGS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL23923850 | 0.75 | PTGS1 (0.39) | — | |
| SCHEMBL17274222 | 0.74 | — | — | |
| SCHEMBL28002998 | 0.67 | SLC22A6 (0.38) | — | |
| SCHEMBL62914 | 0.67 | SLC22A6 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109983026-A | Mixed mode affinity chromatography carrier | 富士胶片株式会社 | 2019-07-05 | — | — | CN | disclosed |
| CN-109790202-A | Cyclic peptide, affinity chromatography carrier, labeled antibody, antibody drug complex and pharmaceutical preparation | 富士胶片株式会社 | 2019-05-21 | — | — | CN | disclosed |