⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16269701 | 0.86 | GABRR1 (0.42) | — | |
| SCHEMBL24906 | 0.86 | — | — | |
| SCHEMBL772924 | 0.86 | — | — | |
| SCHEMBL27292290 | 0.86 | GABRR1 (0.42) | — | |
| SCHEMBL428659 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL9015216 | 0.83 | — | — | |
| 3-Pentanol SCHEMBL20720728 | 0.83 | — | — | |
| Methane SCHEMBL28148823 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL15129140 | 0.83 | — | — | |
| Water SCHEMBL28099735 | 0.83 | — | — |
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-109569196-A | A kind of sulfur dioxide gas absorbent | 刘紫岩 | 2019-04-05 | — | — | CN | disclosed |