⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28020414 | 0.81 | UGT2B7 (0.31) | — | |
| SCHEMBL26993337 | 0.80 | — | — | |
| SCHEMBL2397314 | 0.80 | — | — | |
| Formic Acid SCHEMBL30556355 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL14697157 | 0.77 | — | — | |
| Formic Acid SCHEMBL30556356 | 0.70 | ALDH1A1 (0.32) | — | |
| Formic Acid SCHEMBL27711066 | 0.69 | — | — | |
| Formic Acid SCHEMBL27799648 | 0.67 | — | — | |
| Formic Acid SCHEMBL5073631 | 0.67 | — | — | |
| Formic Acid SCHEMBL29206779 | 0.65 | FFAR3 (0.33) | — |
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-118359524-A | Preparation method of cilastatin sodium | 山东新时代药业有限公司 | 2024-07-19 | — | — | CN | disclosed |