⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4441269 | 0.86 | CXCR4 (0.47) | — | |
| SCHEMBL293194 | 0.86 | CXCR4 (0.44) | — | |
| SCHEMBL1270118 | 0.85 | CXCR4 (0.42) | — | |
| SCHEMBL55509 | 0.83 | CXCR4 (0.41) | — | |
| SCHEMBL200420 | 0.80 | — | — | |
| SCHEMBL28179109 | 0.79 | — | — | |
| SCHEMBL10678168 | 0.78 | — | — | |
| SCHEMBL8693151 | 0.76 | — | — | |
| SCHEMBL14715748 | 0.76 | — | — | |
| SCHEMBL1952132 | 0.76 | — | — |
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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2515657-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2012-10-31 | — | — | EP | claimed |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | claimed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | claimed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | claimed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | claimed |
| CN-114874747-B | Preparation method of high-temperature-resistant and strong-ultraviolet-resistant MS (Murashige & Skoog) adhesive | 安徽斯迈特新材料股份有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-114874747-A | Preparation method of high-temperature-resistant and strong-ultraviolet-resistant MS (Murashige & Skoog) adhesive | 安徽斯迈特新材料股份有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-105358556-B | New compound for selective histone deacetylase inhibitor and the pharmaceutical composition comprising it | 株式会社钟根堂 | 2018-01-02 | — | — | CN | disclosed |
| US-20140275063-A1 | NEW ENZYME INHIBITOR COMPOUNDS | PROXIMAGEN LIMITED (GB) | 2014-09-18 | — | — | US | disclosed |
| EP-2755975-A1 | NEW ENZYME INHIBITOR COMPOUNDS | Proximagen Limited (GB) | 2014-07-23 | — | — | EP | disclosed |
| US-20140031334-A1 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2014-01-30 | — | — | US | disclosed |
| US-8598162-B2 | Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-12-03 | — | — | US | disclosed |
| EP-0511879-B1 | Pyrazine derivatives | OTSUKA PHARMA CO LTD (JP) | 1995-03-22 | — | — | EP | disclosed |
| EP-0511879-A1 | Pyrazine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |
| EP-0503079-A1 | PYRIDAZINONE-SUBSTITUTED ETHYNYLPHENYL DERIVATIVE AND REMEDY FOR CIRCULATORY ORGAN DISEASE CONTAINING THE SAME AS ACTIVE INGREDIENT | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1992-09-16 | — | — | EP | disclosed |
| US-4766120-A | ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1988-08-23 | — | — | US | disclosed |
| US-4663323-A | Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1987-05-05 | — | — | US | disclosed |
| EP-0035046-B1 | NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1985-10-02 | — | — | EP | disclosed |
| US-4540703-A | Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1985-09-10 | — | — | US | disclosed |
| EP-0035046-A1 | Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1981-09-09 | — | — | EP | disclosed |