⚠ 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 | |
|---|---|---|---|---|
| Propynal SCHEMBL6790133 | 0.77 | — | — | |
| Thiosulfuric Acid SCHEMBL16761679 | 0.73 | — | — | |
| Thiosulfuric Acid SCHEMBL3422841 | 0.73 | CA5A (0.50) | — | |
| Propynal SCHEMBL9393 | 0.73 | — | — | |
| Thiosulfuric Acid SCHEMBL11785568 | 0.73 | CA5A (0.50) | — | |
| Thiosulfuric Acid SCHEMBL8512498 | 0.73 | CA5A (0.50) | — | |
| Thiosulfuric Acid SCHEMBL6446 | 0.73 | — | — | |
| Thiosulfuric Acid SCHEMBL6830130 | 0.69 | — | — | |
| Thiosulfuric Acid SCHEMBL3693432 | 0.69 | — | — | |
| Thiosulfuric Acid SCHEMBL9543382 | 0.69 | — | — |
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-103833665-B | A kind of method of synthesis isothiazole newly | J&W (SHANGHAI) PHARMLAB CO., LTD. (CN) | 2015-09-23 | — | — | CN | disclosed |
| CN-103833665-A | Novel method for synthesizing isothiazole | JW & Y SHANGHAI PHARMLAB CO LTD | 2014-06-04 | — | — | CN | disclosed |