⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3341449 | 0.76 | — | — | |
| SCHEMBL3341454 | 0.76 | — | — | |
| SCHEMBL20580652 | 0.71 | — | — | |
| SCHEMBL2216065 | 0.69 | MEN1 (0.40) | — | |
| SCHEMBL11074090 | 0.65 | — | — | |
| Morpholine SCHEMBL3233209 | 0.64 | MEN1 (0.92) | — | |
| SCHEMBL5039400 | 0.64 | — | — | |
| Morpholine SCHEMBL7996463 | 0.64 | MEN1 (0.92) | — | |
| SCHEMBL22491036 | 0.64 | MEN1 (0.92) | — | |
| SCHEMBL244992 | 0.64 | MEN1 (0.92) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117222625-A | Substituted pyridazinones, salts or N-oxides thereof and their use as herbicidal agents | 拜耳公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-116867372-A | [ (5-phenyl-1-heteroaryl-1H-pyrazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants | 拜耳公司 | 2023-10-10 | — | — | CN | disclosed |
| WO-2023177233-A1 | NOVEL COMPOUND AND USE THEREOF FOR INHIBITING CHECKPOINT KINASE 2 | (주)아름테라퓨틱스 | 2023-09-21 | — | — | WO | disclosed |
| EP-2123644-B1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-8247403-B2 | Benzoxazepine derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100087418-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-08 | — | — | US | disclosed |
| EP-2123644-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | EP | disclosed |