⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27464788 | 0.75 | — | — | |
| SCHEMBL700830 | 0.73 | — | — | |
| SCHEMBL124000 | 0.70 | — | — | |
| SCHEMBL8323333 | 0.70 | CA5A (0.42) | — | |
| SCHEMBL5494935 | 0.69 | — | — | |
| Sulfuric Acid SCHEMBL642938 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL974191 | 0.67 | — | — | |
| SCHEMBL9539383 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28913613 | 0.67 | — | — | |
| SCHEMBL29155233 | 0.67 | — | — |
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-101494999-A | Method for using organic compound | GIVAUDAN SA (CH) | 2009-07-29 | — | — | CN | disclosed |