⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2870649 | 0.80 | — | — | |
| SCHEMBL269288 | 0.79 | — | — | |
| SCHEMBL78111 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL44444 | 0.76 | — | — | |
| SCHEMBL9796321 | 0.76 | — | — | |
| SCHEMBL444298 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL18321799 | 0.73 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL2172481 | 0.73 | — | — | |
| SCHEMBL8459302 | 0.73 | LMNA (0.46) | — | |
| SCHEMBL11797907 | 0.71 | ALDH1A1 (0.35) | — |
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-1156056-A1 | 5-GLYCOSYLOXY-6-HYDROXYNAPHTHO 2,3-f]QUINOLINE-7,12-DIONE HAVING ANTICANCER ACTIVITIES | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 2001-11-21 | — | — | EP | claimed |
| EP-1156056-A1 | 5-GLYCOSYLOXY-6-HYDROXYNAPHTHO 2,3-f]QUINOLINE-7,12-DIONE HAVING ANTICANCER ACTIVITIES | ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) | 2001-11-21 | — | — | EP | disclosed |