⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3025834 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL3958828 | 0.68 | MAPT (0.33) | — | |
| SCHEMBL3036052 | 0.67 | — | — | |
| SCHEMBL5510095 | 0.67 | — | — | |
| SCHEMBL7465315 | 0.67 | — | — | |
| Water SCHEMBL7594637 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9663276 | 0.67 | — | — | |
| Iodide SCHEMBL3791320 | 0.67 | — | — | |
| SCHEMBL8342993 | 0.66 | ALDH1A1 (0.44) | — | |
| SCHEMBL2822503 | 0.66 | LMNA (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116472042-A | 2-oxo-dihydroquinoline-3-carboxamide derivatives as modulators of GABA A type receptors | 加的夫大学学院咨询有限公司 | 2023-07-21 | — | — | CN | disclosed |
| US-20130090364-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-04-11 | — | — | US | disclosed |