⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10813943 | 0.81 | KIF11 (0.37) | — | |
| SCHEMBL10813939 | 0.79 | KIF11 (0.40) | — | |
| SCHEMBL5053704 | 0.76 | SLC1A1 (0.34) | — | |
| SCHEMBL18774172 | 0.76 | — | — | |
| SCHEMBL1064390 | 0.73 | — | — | |
| SCHEMBL14645189 | 0.71 | ALOX15 (0.32) | — | |
| SCHEMBL756208 | 0.71 | KIF11 (0.33) | — | |
| SCHEMBL14328763 | 0.70 | ARG1 (0.36) | — | |
| SCHEMBL9551098 | 0.70 | — | — | |
| SCHEMBL9614483 | 0.70 | GRIK1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230002337-A1 | CYSTINE DIAMIDE ANALOGS FOR THE PREVENTION OF CYSTINE STONE FORMATION IN CYSTINURIA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2023-01-05 | — | — | US | disclosed |
| US-20210024477-A1 | CYSTINE DIAMIDE ANALOGS FOR THE PREVENTION OF CYSTINE STONE FORMATION IN CYSTINURIA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2021-01-28 | — | — | US | disclosed |
| US-10836737-B2 | Cystine diamide analogs for the prevention of cystine stone formation in cystinuria | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2020-11-17 | — | — | US | disclosed |
| US-20160362386-A1 | CYSTINE DIAMIDE ANALOGS FOR THE PREVENTION OF CYSTINE STONE FORMATION IN CYSTINURIA | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2016-12-15 | — | — | US | disclosed |
| US-9428453-B2 | Cystine diamide analogs for the prevention of cystine stone formation in cystinuria | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2016-08-30 | — | — | US | disclosed |
| US-20140187546-A1 | Cystine Diamide Analogs for the Prevention of Cystine Stone Formation in Cystinuria | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-07-03 | — | — | US | disclosed |