Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol
The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL672934 | 1.00 | — | — | |
| Fumaric Acid SCHEMBL672180 | 1.00 | — | — | |
| Fumaric Acid SCHEMBL14717098 | 0.95 | TSHR (0.82) | — | |
| Maleic Acid SCHEMBL3742398 | 0.95 | — | — | |
| Maleic Acid SCHEMBL27967963 | 0.95 | TSHR (0.82) | — | |
| Fumaric Acid SCHEMBL2046433 | 0.95 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL615 | 0.95 | — | — | |
| Maleic Acid SCHEMBL20487516 | 0.95 | TSHR (1.00) | — | |
| Fumaric Acid SCHEMBL3998225 | 0.95 | — | — | |
| Maleic Acid SCHEMBL613 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120252979-A1 | Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers | RADEMACHER CHRISTINE (US) | 2012-10-04 | — | — | US | disclosed |
| US-8067503-B2 | Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers | BRIDGESTONE CORPORATION (JP) | 2011-11-29 | — | — | US | disclosed |
| US-20070161748-A1 | PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC, 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS | BRIDGESTONE CORPORATION | 2007-07-12 | — | — | US | disclosed |
| US-20040242780-A1 | using a catalyst that is based on a chromium-containing compound, a hydrogen phosphite, and an organomagnesium compound, or a catalyst based on a molybdenum or iron-compound, a hydrogen phosphite and organoaluminum compound; tire sidewalls; obviates the need for high-temperature mixing | BRIDGESTONE CORPORATION (JP) | 2004-12-02 | — | — | US | disclosed |
| EP-1183283-B1 | MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES | BRIDGESTONE CORP (JP) | 2003-06-11 | — | — | EP | disclosed |
| WO-2003040231-A1 | PROCESS FOR PRODUCING BLENDS OF SYNDIOTACTIC 1,2-POLYBUTADIENE AND RUBBERY ELASTOMERS | BRIDGESTONE CORPORATION (JP) | 2003-05-15 | — | — | WO | disclosed |
| US-6545107-B2 | Reaction product of an molybdenum- containing compound, a silyl phosphonate; and an organoaluminum compound catalyst used for polymerizing conjugated diene monomer | BRIDGESTONE CORPORATION (JP) | 2003-04-08 | — | — | US | disclosed |
| US-6528588-B2 | Polymerization of 1,3-butadiene in the presence of a catalyst made of a chromium compound, a hydrogen phosphite, an organomagnesium compound, a molybdenum containing compound and an organoaluminum compound | BRIDGESTONE CORPORATION (JP) | 2003-03-04 | — | — | US | disclosed |
| US-20020198337-A1 | Molydenum-based catalyst composition for producing syndiotactic 1,2-polybutadiene | BRIDGESTONE CORP. | 2002-12-26 | — | — | US | disclosed |
| US-20020037967-A1 | Process for producing blends of syndiotactic 1,2-polybutadiene and rubbery elastomers with a chromium-based catalyst system | BRIDGESTONE CORPORATION (JP) | 2002-03-28 | — | — | US | disclosed |
| EP-1183283-A1 | MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES | BRIDGESTONE CORPORATION (JP) | 2002-03-06 | — | — | EP | disclosed |
| US-6348550-B1 | ADDITION POLYMERIZATION OF 1,3-BUTADIENE TO SYNDIOTACTIC 1,2-POLYBUTADIENE USING COORDINATION CATALYST COMPRISING MOLYBDENUM COMPOUND, A HYDROGEN PHOSPHITE, AND MIXTURE OF (NON)STERICALLY HINDERED ORGANOALUMINUM COMPOUNDS | BRIDGESTONE CORPORATION (JP) | 2002-02-19 | — | — | US | disclosed |
| US-6303692-B1 | PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND | BRIDGESTONE CORPORATION (JP) | 2001-10-16 | — | — | US | disclosed |
| WO-2000075201-A1 | MOLYBDENUM-BASED CATALYST COMPOSITION FOR POLYMERIZING CONJUGATED DIENES | BRIDGESTONE CORPORATION (JP) | 2000-12-14 | — | — | WO | disclosed |