⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6558335 | 0.75 | ALDH1A1 (0.45) | — | |
| SCHEMBL6258234 | 0.71 | — | — | |
| SCHEMBL3855904 | 0.71 | — | — | |
| SCHEMBL18640421 | 0.71 | — | — | |
| SCHEMBL8 | 0.71 | — | — | |
| SCHEMBL9798232 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL536918 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL6932980 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL9444804 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL434609 | 0.67 | ALDH1A1 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027109-A1 | 4- (2, 6-DICHLORO-BENZOYLAMINO) -1H-PYRAZOLE-S-CARBOXYLIC ACID (1-METHANESULPH0NYL-PIPERIDIN-4-YL) -AMIDE FOR THE TREATMENT OF CANCER | Astex Therapeutics Limited (GB) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007129066-A1 | 4- (2,6-DICHLORO-BENZOYLAMINO) -1H-PYRAZOLE-3-CARBOXYLIC ACID (1-METHANESULPHONYL-PIPERIDIN-4-YL) -AMIDE FOR THE TREATMENT OF CANCER | ASTEX THERAPEUTICS LIMITED (GB) | 2007-11-15 | — | — | WO | disclosed |
| EP-1175404-A1 | QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS | American Home Products Corporation (US) | 2002-01-30 | — | — | EP | disclosed |
| EP-1173206-A1 | CONTRACEPTIVE COMPOSITIONS CONTAINING QUINAZOLINONE AND BENZOXAZINE DERIVATIVES | American Home Products Corporation (US) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000066560-A1 | QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-11-09 | — | — | WO | disclosed |
| WO-2000066165-A1 | CONTRACEPTIVE COMPOSITIONS CONTAINING QUINAZOLINONE AND BENZOXAZINE DERIVATIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-11-09 | — | — | WO | disclosed |