⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28767994 | 1.00 | — | — | |
| SCHEMBL29393779 | 0.87 | ARG1 (0.61) | — | |
| SCHEMBL36934 | 0.87 | ARG1 (0.61) | — | |
| SCHEMBL36935 | 0.87 | ARG1 (0.61) | — | |
| SCHEMBL29378137 | 0.87 | ARG1 (0.61) | — | |
| SCHEMBL36933 | 0.87 | ARG1 (0.61) | — | |
| Hydrogen Sulfide SCHEMBL5666458 | 0.84 | ARG1 (0.59) | — | |
| Selenium SCHEMBL29993624 | 0.84 | ARG1 (0.59) | — | |
| SCHEMBL151396 | 0.82 | ARG1 (0.57) | — | |
| SCHEMBL17361239 | 0.82 | ARG1 (0.69) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117551707-A | Preparation method of S-substituted cysteine, AMA derivative and preparation method thereof | 中国药科大学 | 2024-02-13 | — | — | CN | disclosed |
| CN-101155962-B | Aqueous solutions of fluorescent whitening agents | CLAPIANT FINANCE BVI LTD | 2012-09-05 | — | — | CN | disclosed |
| CN-101155962-A | Aqueous solutions of fluorescent whitening agents | CLARIANT INT LTD (VG) | 2008-04-02 | — | — | CN | disclosed |