⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL971616 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL3663780 | 0.79 | CXCR4 (0.30) | — | |
| SCHEMBL566873 | 0.74 | — | — | |
| SCHEMBL5427065 | 0.73 | — | — | |
| SCHEMBL1200 | 0.73 | — | — | |
| SCHEMBL30146940 | 0.71 | MEN1 (0.44) | — | |
| SCHEMBL28106297 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL28225331 | 0.71 | — | — | |
| SCHEMBL4896738 | 0.70 | MEN1 (0.52) | — | |
| SCHEMBL4940844 | 0.69 | MEN1 (0.57) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113226310-B | 15-PGDH inhibitors | 杏林制药株式会社 | 2024-03-19 | — | — | CN | disclosed |
| 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-113969358-B | Method for selectively leaching and extracting noble metals in organic solvents | 艾克希尔工厂公司 | 2023-10-20 | — | — | 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 |
| CN-113226310-A | 15-PGDH inhibitors | 杏林制药株式会社 | 2021-08-06 | — | — | CN | disclosed |
| CN-110799511-A | Herbicidally active 3-phenylisoxazoline-5-carboxamides of tetrahydro-and dihydrofurancarboxamides | 拜耳公司 | 2020-02-14 | — | — | CN | 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 |
| CN-1889951-A | Substituted benzazoles and methods of their use as inhibitors of RAF kinase | CHIRON CORP (US) | 2007-01-03 | — | — | CN | disclosed |
| US-20050282871-A1 | 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors | BURRILL II LELAND C | 2005-12-22 | — | — | US | disclosed |
| EP-1539725-A1 | 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004026851-A1 | 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-04-01 | — | — | WO | disclosed |