⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17976 | 0.93 | — | — | |
| SCHEMBL117455 | 0.93 | — | — | |
| SCHEMBL118159 | 0.93 | — | — | |
| SCHEMBL3701513 | 0.93 | ALDH1A1 (1.00) | — | |
| Bicarbonate SCHEMBL377460 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL28760693 | 0.90 | — | — | |
| SCHEMBL15662728 | 0.90 | — | — | |
| Hydroxyl Radical SCHEMBL16714478 | 0.90 | — | — | |
| SCHEMBL9786453 | 0.90 | — | — | |
| Water SCHEMBL501966 | 0.90 | ALDH1A1 (0.93) | — |
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-206304715-U | A kind of tubular reactor that catalytic reaction is carried out for reaction control phase transfer catalyst | 中国科学院大连化学物理研究所 | 2017-07-07 | — | — | CN | disclosed |