⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9827398 | 0.97 | — | — | |
| SCHEMBL15403475 | 0.71 | — | — | |
| SCHEMBL721548 | 0.69 | — | — | |
| SCHEMBL3393107 | 0.69 | — | — | |
| SCHEMBL19534478 | 0.69 | — | — | |
| SCHEMBL15404323 | 0.67 | — | — | |
| SCHEMBL23199594 | 0.67 | — | — | |
| SCHEMBL8354523 | 0.67 | — | — | |
| SCHEMBL15402323 | 0.67 | — | — | |
| SCHEMBL21415062 | 0.67 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023016417-A1 | 1,2-DIHYDRO-3H-PYRAZOL[3,4-D]PYRIMIDIN-3-ONE COMPOUND AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2023-02-16 | — | — | WO | disclosed |
| EP-0220409-B1 | GEM-DIHALO AND TETRAHALO-1,12-DIAMINO-4,9-DIAZA-DODECANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-11-27 | — | — | EP | disclosed |
| EP-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4914240-A | PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | disclosed |
| US-4851448-A | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-07-25 | — | — | US | disclosed |
| US-4778926-A | ANTITUMOR AND ANTIGROWTH AGENTS; CHEMICAL INTERMEDIATES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-10-18 | — | — | US | disclosed |
| US-4719313-A | ANTITUMOR | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-01-12 | — | — | US | disclosed |
| US-4695654-A | ANTITUMOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0220409-A2 | Gem-dihalo and tetrahalo-1,12-diamino-4,9-diaza-dodecanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-05-06 | — | — | EP | disclosed |
| EP-0215319-A2 | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-03-25 | — | — | EP | disclosed |