SCHEMBL183576

SCHEMBL183576

O=CNc1ccncc1

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
SCHEMBL11179661 0.86 ALDH1A1 (0.48)
Hydrochloric Acid SCHEMBL11198973 0.84 ALDH1A1 (0.46)
SCHEMBL19084922 0.83 KDM1A (0.50)
Trifluoroacetic Acid SCHEMBL28175119 0.82 ALDH1A1 (0.45)
SCHEMBL23969858 0.81 ALDH1A1 (0.43)
SCHEMBL10133172 0.81 SCN9A (0.44)
SCHEMBL12882555 0.81 TSHR (0.54)
SCHEMBL469386 0.80 ALDH1A1 (0.72)
SCHEMBL28829266 0.78 ALDH1A1 (0.41)
SCHEMBL3440130 0.77 CHKA (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636735-B Process method for extracting and separating m-cresol and p-cresol mixture 北京化工大学 2024-05-28 CN claimed
EP-3892618-B1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO LTD (CN) 2024-04-10 EP claimed
CN-116669517-A Perovskite precursor solution containing pyridine additive, perovskite solar cell, and preparation method and application of perovskite precursor solution 武汉万度光能研究院有限责任公司 2023-08-29 CN claimed
CN-116574115-A Four-coordination zinc-containing complex single crystal material, preparation method and application 河南大学 2023-08-11 CN claimed
CN-111384445-B Electrolyte composition and metal ion battery comprising same 财团法人工业技术研究院 2022-04-15 CN claimed
CN-111384445-A Electrolyte composition and metal ion battery comprising same 财团法人工业技术研究院 2020-07-07 CN claimed
CN-106470994-B For treating the substituted pyrazine of CNS disease simultaneously [2,1-A] isoquinilone derivatives 豪夫迈·罗氏有限公司 2019-09-24 CN claimed
CN-109896997-A The preparation method and its usage of N- anilid class c-Met kinase inhibitor 中国药科大学 2019-06-18 CN claimed
CN-109715612-A SOMATOSTATIN MODULATORS AND USES THEREOF 克林提克斯医药股份有限公司 2019-05-03 CN claimed
CN-109310668-A Positive allosteric modulators of muscarinic acetylcholine receptor M4 范德比尔特大学 2019-02-05 CN claimed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP claimed
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 US claimed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US claimed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 US claimed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO claimed
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN claimed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US claimed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
EP-0000392-A2 Cephalosporins and penicillins, processes for their preparation and pharmaceutical compositions containing them BAYER AG (DE) 1979-01-24 EP claimed