⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28629182 | 0.93 | — | — | |
| SCHEMBL8010231 | 0.69 | — | — | |
| SCHEMBL17960005 | 0.62 | — | — | |
| Isopropyl Alcohol SCHEMBL27594181 | 0.59 | — | — | |
| Isopropyl Alcohol SCHEMBL1133679 | 0.59 | — | — | |
| Isopropyl Alcohol SCHEMBL27705768 | 0.59 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL16874415 | 0.59 | — | — | |
| Isopropyl Alcohol SCHEMBL10508688 | 0.59 | — | — | |
| SCHEMBL2309 | 0.57 | — | — | |
| SCHEMBL3128037 | 0.57 | — | — |
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-109265338-A | The production method of medical sodium lactate solution | 武汉三江航天固德生物科技有限公司 | 2019-01-25 | — | — | CN | disclosed |