⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17873 | 0.97 | — | — | |
| SCHEMBL9413954 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL354013 | 0.94 | — | — | |
| Lithium SCHEMBL31489997 | 0.94 | — | — | |
| Benzene SCHEMBL1522440 | 0.94 | DAO (0.40) | — | |
| Hydrogen Sulfide SCHEMBL16932225 | 0.94 | — | — | |
| Iodide SCHEMBL11106814 | 0.94 | — | — | |
| SCHEMBL3976184 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2951155 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27545617 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3876747-A1 | METHODS OF MODULATING GASTROINTESTINAL METABOLITES | DSM IP Assets B.V. (NL) | 2021-09-15 | — | — | EP | disclosed |