⚠ 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 | |
|---|---|---|---|---|
| Thiosemicarbazide SCHEMBL11685737 | 0.67 | — | — | |
| Pimagedine SCHEMBL28100463 | 0.67 | — | — | |
| SCHEMBL8197955 | 0.67 | — | — | |
| SCHEMBL277283 | 0.67 | ALDH1A1 (0.54) | — | |
| Thiosemicarbazide SCHEMBL28071576 | 0.67 | ALDH1A1 (1.00) | — | |
| Thiosemicarbazide SCHEMBL37070 | 0.67 | — | — | |
| SCHEMBL253206 | 0.67 | — | — | |
| SCHEMBL220407 | 0.67 | — | — | |
| Thiosemicarbazide SCHEMBL20751089 | 0.65 | — | — | |
| SCHEMBL1509165 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4120960-A | DIURETICS, SALURESIS | THE BOOTS COMPANY LIMITED (GB) | 1978-10-17 | — | — | US | disclosed |