⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL520050 | 0.86 | — | — | |
| SCHEMBL133486 | 0.84 | — | — | |
| SCHEMBL736844 | 0.81 | — | — | |
| SCHEMBL14430906 | 0.73 | — | — | |
| SCHEMBL34907 | 0.73 | — | — | |
| SCHEMBL26613407 | 0.72 | MAOA (0.31) | — | |
| SCHEMBL3417718 | 0.71 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL8890 | 0.70 | TSHR (0.48) | — | |
| SCHEMBL24682 | 0.70 | — | — | |
| SCHEMBL8262 | 0.69 | TSHR (0.46) | — |
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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4554364-B2 | — | — | 2010-09-29 | — | — | JP | claimed |
| EP-1539739-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004020435-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-11 | — | — | WO | claimed |
| US-5280009-A | Herbicide | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | claimed |
| WO-2024010015-A1 | PYRIMIDINE DERIVATIVES | あすか製薬株式会社 | 2024-01-11 | — | — | WO | disclosed |
| US-20230277534-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2023-09-07 | — | — | US | disclosed |
| US-11337976-B2 | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2022-05-24 | — | — | US | disclosed |
| CN-108137513-B | Pyrimidine derivatives | ASKA 制药株式会社 | 2022-03-01 | — | — | CN | disclosed |
| EP-3372589-B1 | PYRIMIDINE DERIVATIVE | ASKA PHARM CO LTD (JP) | 2021-10-20 | — | — | EP | disclosed |
| EP-2892534-B1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2021-08-04 | — | — | EP | disclosed |
| US-10710967-B2 | Pyrimidine derivative | ASKA PHARMACEUTICAL CO., LTD. (JP) | 2020-07-14 | — | — | US | disclosed |
| US-20200071280-A1 | PYRIMIDINE DERIVATIVE | ASKA PHARMACEUTICAL CO., LTD. (JP) | 2020-03-05 | — | — | US | disclosed |
| US-5846991-A | Pyrazole derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-08 | — | — | US | disclosed |
| US-5840909-A | Pyrazole derivatives | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-11-24 | — | — | US | disclosed |
| US-5817828-A | HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; VISION DEFECTS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-06 | — | — | US | disclosed |
| EP-0852584-A1 | PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY | Takeda Chemical Industries, Ltd. (JP) | 1998-07-15 | — | — | EP | disclosed |
| US-5721264-A | EXHIBIT ANTAGONISTIC EFFECT AGAINST ANGIOTENSIN II; USEFUL FOR PREVENTION AND REMEDY OF HYPERTENSION, CONGESTIVE HEARTFAILURE, CHRONIC RENAL INSUFFICIENCY, ALDOSTERONISM | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-02-24 | — | — | US | disclosed |
| WO-1997011961-A1 | PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-03 | — | — | WO | disclosed |
| EP-0693480-A1 | PYRAZOLE DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-01-24 | — | — | EP | disclosed |
| US-5280009-A | Herbicide | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | disclosed |