⚠ 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 | |
|---|---|---|---|---|
| Hydrazinecarboxamide SCHEMBL8820826 | 0.89 | ALDH1A1 (0.71) | — | |
| Thiosemicarbazide SCHEMBL11417436 | 0.89 | — | — | |
| Thiosemicarbazide SCHEMBL28071576 | 0.88 | ALDH1A1 (1.00) | — | |
| Thiosemicarbazide SCHEMBL37070 | 0.88 | — | — | |
| Thiosemicarbazide SCHEMBL8769556 | 0.87 | ALDH1A1 (0.59) | — | |
| Thiosemicarbazide SCHEMBL3822830 | 0.86 | — | — | |
| Hydrazinecarboxamide SCHEMBL28563370 | 0.86 | LMNA (0.73) | — | |
| Thiosemicarbazide SCHEMBL5951463 | 0.84 | — | — | |
| Thiosemicarbazide SCHEMBL758763 | 0.84 | — | — | |
| Thiosemicarbazide SCHEMBL19183587 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0688852-B1 | Intumescent impregnation agent | WOLMAN GMBH DR (DE) | 1997-09-17 | — | — | EP | claimed |
| US-3959149-A | Isocyanate resin absorbent for free chlorine, heavy metals and heavy metallic compounds | NIPPON SODA COMPANY LIMITED (JA) | 1976-05-25 | — | — | US | disclosed |