⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3964880 | 0.86 | ATM (0.54) | — | |
| SCHEMBL4910652 | 0.85 | NAAA (0.61) | — | |
| SCHEMBL8029426 | 0.83 | HCAR2 (0.45) | — | |
| SCHEMBL28504067 | 0.83 | NAAA (0.64) | — | |
| SCHEMBL4901016 | 0.83 | NAAA (0.64) | — | |
| SCHEMBL28129434 | 0.83 | NAAA (0.64) | — | |
| SCHEMBL10714622 | 0.83 | NAAA (0.64) | — | |
| SCHEMBL7627118 | 0.83 | NAAA (0.64) | — | |
| SCHEMBL16741941 | 0.83 | NAAA (0.64) | — | |
| SCHEMBL28301942 | 0.83 | NAAA (0.64) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107876092-B | Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2023-01-10 | — | — | CN | claimed |
| CN-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2018-04-06 | — | — | CN | claimed |
| CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 华东理工大学 | 2017-12-01 | — | — | CN | claimed |
| CN-115151527-B | Process for the preparation of cyanoacetic esters | 汉高股份有限及两合公司 | 2025-05-13 | — | — | CN | disclosed |
| CN-107417719-B | Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2022-11-25 | — | — | CN | disclosed |
| CN-115151527-A | Process for the preparation of cyanoacetic esters | 汉高股份有限及两合公司 | 2022-10-04 | — | — | CN | disclosed |
| EP-3342767-B1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARM INC (US) | 2021-04-14 | — | — | EP | disclosed |
| US-20200392123-A1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. | 2020-12-17 | — | — | US | disclosed |
| US-10689372-B2 | Pyrazolyl substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto | ARENA PHARMACEUTICALS, INC. (US) | 2020-06-23 | — | — | US | disclosed |
| CN-110582546-A | Photocurable ink for inkjet | 捷恩智株式会社 | 2019-12-17 | — | — | CN | disclosed |
| US-20190270731-A1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. | 2019-09-05 | — | — | US | disclosed |
| WO-2010068242-A1 | PYRAZOLYL SUBSTITUTED CARBONIC ACID DERIVATIVES AS MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2010-06-17 | — | — | WO | disclosed |
| US-20080076760-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | WAKAMOTO PHARMACEUTICAL CO., LTD (JP) | 2008-03-27 | — | — | US | disclosed |
| EP-1820799-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | Wakamoto Pharmaceutical Co., Ltd. (JP) | 2007-08-22 | — | — | EP | disclosed |
| EP-1200405-A1 | BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS | BERLEX LABORATORIES, INC. (US) | 2002-05-02 | — | — | EP | disclosed |
| US-6350761-B1 | INHIBITORS OF THE ENZYME, FACTOR XA; | BERLEX LABORATORIES, INC. | 2002-02-26 | — | — | US | disclosed |
| EP-0746306-B1 | BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS | PROCTER & GAMBLE (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2001009093-A1 | BENZENAMINE DERIVATIVES AS ANTI-COAGULANTS | BERLEX LABORATORIES, INC. (US) | 2001-02-08 | — | — | WO | disclosed |
| EP-0746306-A1 | BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS | THE PROCTER & GAMBLE COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |
| WO-1995023585-A1 | BENZOYLACETATE ESTERS AS NON-SENSITIZING CHELATING PHOTO-PROTECTANTS | THE PROCTER & GAMBLE COMPANY (US) | 1995-09-08 | — | — | WO | disclosed |