⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL134099 | 0.87 | ALDH1A1 (0.39) | — | |
| SCHEMBL1387174 | 0.82 | — | — | |
| SCHEMBL16303451 | 0.81 | MEN1 (0.41) | — | |
| SCHEMBL18519236 | 0.80 | MEN1 (0.61) | — | |
| SCHEMBL18510181 | 0.80 | KDM4E (0.50) | — | |
| SCHEMBL16844919 | 0.80 | KDM4E (0.50) | — | |
| SCHEMBL20932792 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL18519237 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL22214463 | 0.79 | MEN1 (0.44) | — | |
| SCHEMBL1387344 | 0.78 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2323628-B1 | CARRIER NANOPARTICLES AND RELATED COMPOSITIONS, METHODS AND SYSTEMS | CALIFORNIA INST OF TECHN (US) | 2022-04-13 | — | — | EP | disclosed |
| WO-2017120355-A1 | DIHYDROQUINOLINES AND USES THEREOF | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2017-07-13 | — | — | WO | disclosed |