⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3896487 | 0.79 | GRM2 (0.32) | — | |
| SCHEMBL98778 | 0.78 | PPARD (0.38) | — | |
| SCHEMBL774999 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL6437928 | 0.74 | — | — | |
| SCHEMBL19101637 | 0.74 | SMPD1 (0.31) | — | |
| SCHEMBL9023017 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL282438 | 0.73 | FDPS (0.37) | — | |
| SCHEMBL4119345 | 0.72 | LPAR3 (0.48) | — | |
| SCHEMBL2298232 | 0.72 | FDPS (0.36) | — | |
| Hydrochloric Acid SCHEMBL4158783 | 0.72 | FDPS (0.36) | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240252477-A1 | NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF | UNIVERSITA' DEGLI STUDI DI TORINO (60%) (IT) | 2024-08-01 | — | — | US | disclosed |
| CN-117999319-A | Halogen-free flame-retardant curable resin composition, prepreg, metal-clad laminate, and printed wiring board | 日铁化学材料株式会社 | 2024-05-07 | — | — | CN | disclosed |
| EP-4334287-A1 | NLRP3 INFLAMMASOME-INHIBITING COMPOUNDS AND THE USE THEREOF | Università Degli Studi Di Torino (IT) | 2024-03-13 | — | — | EP | disclosed |
| US-9975856-B2 | Process for the preparation of (E)-3-(4-((E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-en-1-yl)phenyl)acrylic acid | GENENTECH, INC. (US) | 2018-05-22 | — | — | US | disclosed |
| EP-2376447-B1 | DIPEPTIDYL PEPTIDASE IV INHIBITORS | ORCHID PHARMA LTD (IN) | 2017-08-09 | — | — | EP | disclosed |
| US-20170101380-A1 | PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID | GENENTECH, INC. (US) | 2017-04-13 | — | — | US | disclosed |
| WO-2017060326-A1 | PROCESS FOR THE PREPARATION OF (E)-3-(4-((E)-2-(2-CHLORO-4-FLUOROPHENYL)-1-(1H-INDAZOL-5-YL)BUT-1-EN-1-YL)PHENYL)ACRYLIC ACID | F. HOFFMANN-LA ROCHE AG (CH) | 2017-04-13 | — | — | WO | disclosed |
| EP-1814850-B9 | NEW HISTONE DEACETYLASES INHIBITORS | DAC SRL (IT) | 2015-02-25 | — | — | EP | disclosed |
| EP-2234978-B1 | CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 | ASTRAZENECA AB (SE) | 2015-02-25 | — | — | EP | disclosed |
| EP-1814850-B1 | NEW HISTONE DEACETYLASES INHIBITORS | DAC SRL (IT) | 2013-07-03 | — | — | EP | disclosed |
| US-20040220193-A1 | Nitrogen-containing cyclic compound and pharmaceutical composition containing the compound | EISAI CO., LTD. | 2004-11-04 | — | — | US | disclosed |
| WO-2004076401-A1 | CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-09-10 | — | — | WO | disclosed |
| WO-2004076427-A1 | 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-09-10 | — | — | WO | disclosed |
| EP-0871439-B1 | SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS | AVENTIS PHARMA INC (US) | 2004-03-31 | — | — | EP | disclosed |
| EP-1254895-A1 | NITROGENOUS CYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Eisai Co., Ltd. (JP) | 2002-11-06 | — | — | EP | disclosed |
| EP-1041980-A4 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2002-03-20 | — | — | EP | disclosed |
| EP-1041980-A1 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| US-6057369-A | USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 2000-05-02 | — | — | US | disclosed |
| US-6011059-A | PREVENTING OR TREATING ANGINA PECTORIS, CARDIAC DYSFUNCTION, MYOCARDIAL NECROSIS, AND ARRHYTHMIA EMPLOYING THE ABOVE ACYL GUANIDINES. | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1999033460-A1 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-07-08 | — | — | WO | disclosed |