⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28805616 | 0.88 | — | — | |
| SCHEMBL27446644 | 0.85 | — | — | |
| SCHEMBL28124927 | 0.85 | — | — | |
| SCHEMBL27448536 | 0.84 | — | — | |
| SCHEMBL27475943 | 0.82 | — | — | |
| SCHEMBL27794981 | 0.81 | CYP26B1 (0.33) | — | |
| SCHEMBL27891645 | 0.81 | PTGS1 (0.32) | — | |
| SCHEMBL27387441 | 0.80 | PPARA (0.30) | — | |
| SCHEMBL27875271 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL27988444 | 0.79 | RXRA (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107207467-A | 2, 4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG | 癌症研究科技有限公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-106795156-A | 2- (morpholin-4-yl) -1, 7-naphthyridine | 拜耳制药股份公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-105593211-A | Indol and indazol derivatives | HOFFMANN LA ROCHE | 2016-05-18 | — | — | CN | disclosed |