⚠ 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 SCHEMBL9560201 | 0.95 | — | — | |
| Thiosulfuric Acid SCHEMBL27284460 | 0.95 | — | — | |
| Thiosulfuric Acid SCHEMBL27631342 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL28327717 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL27548474 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL28219715 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL27916332 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL27328333 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL10932255 | 0.90 | — | — | |
| Thiosulfuric Acid SCHEMBL27751240 | 0.90 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110016377-A | Synthetic refrigerator oil composition and preparation method and application thereof | 中国石油天然气股份有限公司 | 2019-07-16 | — | — | CN | disclosed |