⚠ 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 SCHEMBL28071576 | 0.95 | ALDH1A1 (1.00) | — | |
| Thiosemicarbazide SCHEMBL37070 | 0.95 | — | — | |
| Thiosemicarbazide SCHEMBL17164896 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL3798838 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL11573888 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL19183587 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL758763 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL5951463 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL7719531 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL5395494 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111285816-B | Preparation method of paclobutrazol | 江苏七洲绿色化工股份有限公司 | 2021-12-28 | — | — | CN | disclosed |
| CN-111285816-A | Preparation method of paclobutrazol | 江苏七洲绿色化工股份有限公司 | 2020-06-16 | — | — | CN | disclosed |