SCHEMBL587516

SCHEMBL587516

CCn1nc(C)cc1O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL23398627 0.83 ADORA2B (0.44)
SCHEMBL23399886 0.79 KDM4E (0.45)
SCHEMBL6657664 0.78 GAA (0.50)
SCHEMBL11500127 0.78 KDM4E (0.44)
SCHEMBL22090233 0.77
SCHEMBL19091622 0.77 ADORA2A (0.36)
SCHEMBL11055021 0.77
SCHEMBL23398583 0.77 LMNA (0.46)
SCHEMBL23533806 0.77 KDM4E (0.42)
SCHEMBL12402397 0.77 PTGS2 (0.48)

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202003-A1 POLYMERISATION INHIBITORS BASF SE (DE) 2025-10-02 WO disclosed
US-11661413-B2 Pyrazole compounds or salts thereof, preparation method therefor, herbicidal composition and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2023-05-30 US disclosed
US-20220370431-A1 C-MYC MRNA TRANSLATION MODULATORS AND USES THEREOF IN THE TREATMENT OF CANCER ANIMA BIOTECH INC. (US) 2022-11-24 US disclosed
WO-2022013293-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2022-01-20 WO disclosed
WO-2021125345-A1 VASODILATOR AND USE THEREOF 株式会社バイオラジカル研究所 2021-06-24 WO disclosed
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
US-10556888-B2 Pyrazole compounds or salts thereof, preparation methods therefor, herbicidal compositions and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2020-02-11 US disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 WO disclosed
US-20180105513-A1 PYRAZOLE COMPOUNDS OR SALTS THEREOF, PREPARATION METHODS THEREFOR, HERBICIDAL COMPOSITIONS AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-04-19 US disclosed
CN-1187335-C Benzoylpyrazoles and their use as herbicides BAYER CROP SCIENCE GMBH (DE) 2005-02-02 CN disclosed
US-20040192752-A1 Anti-HIV pyrazole derivatives DYMOCK BRIAN WILLIAM (GB) 2004-09-30 US disclosed
US-6699887-B2 ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION HOFFMANN-LA ROCHE INC. 2004-03-02 US disclosed
CN-1469865-A Pyrazole derivatives for the treatment of viral diseases - 2004-01-21 CN disclosed
EP-1326843-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. Hoffmann-La Roche AG (CH) 2003-07-16 EP disclosed
CN-1422258-A Benzoylpyrazoles and their use as herbicides BAYER CROP SCIENCE GMBH (DE) 2003-06-04 CN disclosed
US-20030018197-A1 Anti-HIV pyrazole derivatives HOFFMANN-LA ROCHE INC. 2003-01-23 US disclosed
US-6420317-B1 SELECTIVE CONTROL OF BROAD-LEAVED WEEDS AND WEED GRASSES IN CROPS OF USEFUL PLANTS, SUCH AS TRANSGENIC PLANTS AVENTIS CROPSCIENCE GMBH (DE) 2002-07-16 US disclosed
US-20020065200-A1 Benzoylpyrazoles and their use as herbicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2002-05-30 US disclosed
WO-2002030907-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2002-04-18 WO disclosed