⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4610665 | 1.00 | — | — | |
| SCHEMBL4045367 | 0.81 | MMP2 (0.33) | — | |
| Crotonic Acid SCHEMBL28119012 | 0.71 | TSHR (0.44) | — | |
| Crotonic Acid SCHEMBL28152799 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL4609963 | 0.70 | KEAP1 (0.32) | — | |
| SCHEMBL4609964 | 0.70 | KEAP1 (0.32) | — | |
| Phosphoric Acid SCHEMBL31312471 | 0.69 | CA4 (0.32) | — | |
| SCHEMBL28806051 | 0.69 | — | — | |
| SCHEMBL4609886 | 0.67 | CA12 (0.44) | — | |
| Phosphoric Acid SCHEMBL5963629 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2489344-B1 | Dental material based on an anti-microbial compound | IVOCLAR VIVADENT AG (LI) | 2021-03-24 | — | — | EP | claimed |
| CN-110066853-A | Array of substrates and preparation method | 生命技术公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-105209638-B | Matrix array and method for producing the same | 生命技术公司 | 2019-01-22 | — | — | CN | disclosed |
| US-9512104-B2 | Quinolone inhibitors of lipoprotein-associated phospholipase A2 | AUSPEX PHARMACEUTICALS, INC. (US) | 2016-12-06 | — | — | US | disclosed |
| EP-1419182-B1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | BRIDGESTONE CORP (JP) | 2008-10-15 | — | — | EP | disclosed |
| EP-1419182-A1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | Bridgestone Corporation (JP) | 2004-05-19 | — | — | EP | disclosed |
| US-6610804-B2 | An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound | BRIDGESTONE CORPORATION (JP) | 2003-08-26 | — | — | US | disclosed |
| US-6576725-B1 | Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization | BRIDGESTONE CORPORATION (JP) | 2003-06-10 | — | — | US | disclosed |
| US-20030073570-A1 | Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition | BRIDGESTONE CORP. | 2003-04-17 | — | — | US | disclosed |
| US-20030073790-A1 | Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene | BRIDGESTONE CORP. | 2003-04-17 | — | — | US | disclosed |
| WO-2003018644-A1 | IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE | BRIDGESTONE CORPORATION (JP) | 2003-03-06 | — | — | WO | disclosed |