⚠ 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 SCHEMBL218197 | 0.94 | — | — | |
| Formic Acid SCHEMBL27634380 | 0.94 | — | — | |
| Formic Acid SCHEMBL28158514 | 0.94 | — | — | |
| Formic Acid SCHEMBL7632320 | 0.94 | — | — | |
| Formic Acid SCHEMBL1687159 | 0.88 | — | — | |
| Formic Acid SCHEMBL2955598 | 0.88 | — | — | |
| Formic Acid SCHEMBL27981890 | 0.88 | — | — | |
| Formic Acid SCHEMBL9477283 | 0.88 | — | — | |
| Formic Acid SCHEMBL28867907 | 0.88 | ALDH1A1 (0.30) | — | |
| Formic Acid SCHEMBL27798594 | 0.88 | — | — |
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-104208082-A | Compound effecting on hepatitis B virus | SHANGHAI AIQI ECOLOGY TECHNOLOGY CO LTD | 2014-12-17 | — | — | CN | disclosed |