⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2570981 | 1.00 | — | — | |
| SCHEMBL2570984 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22575229 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22771606 | 0.97 | — | — | |
| SCHEMBL4201273 | 0.83 | ADH1B (0.56) | — | |
| SCHEMBL4201267 | 0.83 | ADH1B (0.56) | — | |
| SCHEMBL20080360 | 0.83 | ADH1B (0.56) | — | |
| SCHEMBL11430763 | 0.82 | — | — | |
| SCHEMBL2566079 | 0.82 | — | — | |
| SCHEMBL2566076 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020163816-A1 | QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME | Frequency Therapeutics, Inc. (US) | 2020-08-13 | — | — | WO | disclosed |
| WO-2010118250-A2 | METHODS AND COMPOSITIONS OF PI-3 KINASE INHIBITORS FOR TREATING FIBROSIS | ONCOTHYREON, INCORPORATED (US) | 2010-10-14 | — | — | WO | disclosed |