⚠ 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 | |
|---|---|---|---|---|
| Thiosulfuric Acid SCHEMBL28010288 | 0.95 | CA5A (0.42) | — | |
| Thiosulfuric Acid SCHEMBL668416 | 0.91 | — | — | |
| Thiosulfuric Acid SCHEMBL1812915 | 0.89 | CA5A (0.56) | — | |
| Thiosulfuric Acid SCHEMBL3742 | 0.89 | — | — | |
| Thiosulfuric Acid SCHEMBL23778559 | 0.84 | — | — | |
| Thiosulfuric Acid SCHEMBL21797160 | 0.84 | — | — | |
| Thiosulfuric Acid SCHEMBL5060748 | 0.84 | — | — | |
| Thiosulfuric Acid SCHEMBL21465257 | 0.84 | — | — | |
| Thiosulfuric Acid SCHEMBL21465256 | 0.84 | CA5A (0.50) | — | |
| Thiosulfuric Acid SCHEMBL193573 | 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 |
|---|---|---|---|---|---|---|---|
| CN-108349870-A | Adjust the preparation method of the intermediate of the compound of kinase activity | 正大天晴药业集团股份有限公司 | 2018-07-31 | — | — | CN | disclosed |
| US-4908215-A | Hypochlorite, alkali or alkaline earth metal thiosulfate; for disinfecting, bleaching, cleansing | BRANDEIS UNIVERSITY (US) | 1990-03-13 | — | — | US | disclosed |