⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28033667 | 0.70 | — | — | |
| Urea SCHEMBL6268321 | 0.68 | — | — | |
| SCHEMBL829289 | 0.67 | — | — | |
| SCHEMBL7158952 | 0.67 | — | — | |
| SCHEMBL2597504 | 0.67 | — | — | |
| SCHEMBL371126 | 0.67 | — | — | |
| SCHEMBL11596139 | 0.64 | — | — | |
| SCHEMBL2666224 | 0.64 | — | — | |
| Carbamic Acid SCHEMBL2428212 | 0.64 | — | — | |
| SCHEMBL8028896 | 0.64 | — | — |
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-20200354318-A1 | THIOSEMICARBAZATES AND USES THEREOF | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) | 2020-11-12 | — | — | US | disclosed |
| WO-2020227592-A1 | THIOSEMICARBAZATES AND USES THEREOF | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) | 2020-11-12 | — | — | WO | disclosed |