⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23252651 | 1.00 | — | — | |
| SCHEMBL20896190 | 1.00 | — | — | |
| SCHEMBL22507837 | 1.00 | — | — | |
| SCHEMBL20605750 | 1.00 | — | — | |
| SCHEMBL20896192 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL20521733 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL20521728 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL25405788 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL20521735 | 0.97 | — | — | |
| SCHEMBL1189125 | 0.80 | CCR5 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230293533-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. | 2023-09-21 | — | — | US | disclosed |
| US-20230293533-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. | 2023-09-21 | — | — | US | disclosed |
| US-11723908-B2 | Quinazoline derivatives as antitumor agents | SUZHOU ZANRONG PHARMA LIMITED (CN) | 2023-08-15 | — | — | US | disclosed |
| US-11723908-B2 | Quinazoline derivatives as antitumor agents | SUZHOU ZANRONG PHARMA LIMITED (CN) | 2023-08-15 | — | — | US | disclosed |
| CN-108884096-B | Spiroindolinones as DDR1 inhibitors | 豪夫迈·罗氏有限公司 | 2022-03-22 | — | — | CN | disclosed |
| US-20210386742-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. | 2021-12-16 | — | — | US | disclosed |
| EP-3414247-B1 | SPIROINDOLINONES AS DDR1 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2021-04-21 | — | — | EP | disclosed |
| US-10618897-B2 | Spiroindolinones as DDR1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2020-04-14 | — | — | US | disclosed |
| WO-2020057511-A1 | QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS | SUZHOU ZANRONG PHARMA LIMITED (CN) | 2020-03-26 | — | — | WO | disclosed |
| US-20190071444-A1 | SPIROINDOLINONES AS DDR1 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2019-03-07 | — | — | US | disclosed |
| US-20190071444-A1 | SPIROINDOLINONES AS DDR1 INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2019-03-07 | — | — | US | disclosed |