Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Thiosemicarbazide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL11573888 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL30716421 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL758763 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL3798838 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL7719531 | 0.91 | — | — | |
| Thiosemicarbazide SCHEMBL19183587 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118460496-A | Mutant arginine methylase StzE and application thereof | 中国医学科学院医药生物技术研究所 | 2024-08-09 | — | — | CN | disclosed |
| US-20060178519-A1 | Process for preparing tegaserod | DR. REDDY'S LABORATORIES LIMITED (IN) | 2006-08-10 | — | — | US | disclosed |
| EP-0088593-B1 | 1,2,4-TRIAZINE AND PYRAZINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1987-05-27 | — | — | EP | disclosed |