⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27467974 | 0.80 | PRMT3 (0.50) | — | |
| SCHEMBL179678 | 0.78 | — | — | |
| SCHEMBL2189591 | 0.78 | — | — | |
| SCHEMBL13936327 | 0.78 | PRMT3 (0.48) | — | |
| SCHEMBL19818322 | 0.76 | — | — | |
| SCHEMBL8686965 | 0.76 | PRMT3 (0.46) | — | |
| SCHEMBL12286330 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL19924993 | 0.76 | PRMT3 (0.46) | — | |
| SCHEMBL22000530 | 0.76 | PRMT3 (0.41) | — | |
| SCHEMBL21381233 | 0.76 | PRMT3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230242479-A1 | ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE | THE JOHNS HOPKINS UNIVERSTY | 2023-08-03 | — | — | US | disclosed |
| US-11584712-B2 | Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide | THE JOHNS HOPKINS UNIVERSITY (US) | 2023-02-21 | — | — | US | disclosed |
| US-20210238134-A1 | ALKYLAMINE-SUBSTITUTED PERTHIOCARBAMATES AS DUAL PRECURSORS TO HYDROPERSULFIDE AND CARBONYL SULFIDE | NATIONAL SCIENCE FOUNDATION | 2021-08-05 | — | — | US | disclosed |