⚠ 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 SCHEMBL10382152 | 0.91 | — | — | |
| Thiosulfuric Acid SCHEMBL28010288 | 0.87 | CA5A (0.42) | — | |
| Thiosulfuric Acid SCHEMBL3742 | 0.82 | — | — | |
| Thiosulfuric Acid SCHEMBL1812915 | 0.82 | CA5A (0.56) | — | |
| Thiosulfuric Acid SCHEMBL8111283 | 0.78 | CA2 (0.46) | — | |
| Sulfuric Acid SCHEMBL11228248 | 0.78 | CA5A (0.55) | — | |
| Sulfuric Acid SCHEMBL11228246 | 0.78 | CA5A (0.55) | — | |
| Thiosulfuric Acid SCHEMBL23778559 | 0.77 | — | — | |
| Thiosulfuric Acid SCHEMBL21797160 | 0.77 | — | — | |
| Thiosulfuric Acid SCHEMBL36977 | 0.77 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2441454-B1 | The use of isothiocyanate compounds in treating prostatitis | JC WUXI COMPANY INC (CN) | 2015-09-16 | — | — | EP | disclosed |
| US-8410170-B2 | Use of isothiocyanates compounds in treating prostatic diseases and skin cancer | WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2013-04-02 | — | — | US | disclosed |
| EP-2441454-A1 | The use of isothiocyanates compounds in treating prostatic diseases and skin cancer | Cheng, Jingcai (CN) | 2012-04-18 | — | — | EP | disclosed |
| US-20120046358-A1 | USE OF ISOTHIOCYANATES COMPOUNDS IN TREATING PROSTATIC DISEASES AND SKIN CANCER | WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2012-02-23 | — | — | US | disclosed |
| US-8039511-B2 | Use of isothiocyanates compounds in treating prostatic diseases and skin cancer | WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) | 2011-10-18 | — | — | US | disclosed |
| US-20090005438-A1 | Use of Isothiocyanates Compounds in Treating Prostatic Diseases and Skin Cancer | WUXI JC PHARMACEUTICAL TECHNOLOGY CO., LTD. | 2009-01-01 | — | — | US | disclosed |
| EP-1961418-A1 | THE USE OF ISOTHIOCYANATES COMPOUNDS IN TREATING PROSTATIC DISEASES AND SKIN CANCER | Cheng, Jingcai (CN) | 2008-08-27 | — | — | EP | disclosed |