⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9077116 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL9561890 | 0.84 | SLC7A5 (0.37) | — | |
| Hydrochloric Acid SCHEMBL9284121 | 0.80 | SLC1A2 (0.30) | — | |
| SCHEMBL9561908 | 0.79 | DPP4 (0.32) | — | |
| SCHEMBL9561828 | 0.79 | DPP4 (0.32) | — | |
| SCHEMBL614026 | 0.77 | SCN1A (0.31) | — | |
| SCHEMBL29469592 | 0.77 | SCN1A (0.31) | — | |
| SCHEMBL31149439 | 0.74 | SCN1A (0.30) | — | |
| SCHEMBL4063068 | 0.74 | SCN1A (0.30) | — | |
| SCHEMBL20836246 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5481026-A | ADDITION POLYMERIZABLE TO CHROMATOGRAPHIC SUPPORTS FOR SEPARATION OF RACEMIC MIXTURES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-01-02 | — | — | US | disclosed |
| US-5357001-A | Optically active amino acid sulphoxide and amino acid sulphone derivatives, their preparation, their polymerisation and use as adsorbents for chromatographic resolution of racemates | BAYER AKTIENGESELLSCHAFT (DE) | 1994-10-18 | — | — | US | disclosed |