SCHEMBL531613

SCHEMBL531613

c1ccc(C2CO2)nc1

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
SCHEMBL6488261 1.00
SCHEMBL30316733 1.00
SCHEMBL29240535 1.00
SCHEMBL12533533 0.98 TSHR (0.43)
SCHEMBL22263381 0.86 ALDH1A1 (0.38)
SCHEMBL31361158 0.85 ALDH1A1 (0.37)
SCHEMBL9065034 0.85 HRH3 (0.38)
Hydrochloric Acid SCHEMBL28248572 0.83 HRH3 (0.37)
SCHEMBL31111388 0.83 HRH3 (0.43)
SCHEMBL15321440 0.79 DRD2 (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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560474-B2 Derivatives of pyridilethanol (phenylethyl) amines as inhibitors of cholesterol biosynthesis, process for their preparation and pharmaceutical compositions containing them LEK PHARMACEUTICALS D.D. (SI) 2009-07-14 US claimed
US-20050256172-A1 Novel derivatives of pyridilethanol (phenylethyl) amines as inhibitors of cholesterol biosynthesis, process for their preparation and pharmaceutical compositions containing them LEK PHARMACEUTICALS D.D. (SI) 2005-11-17 US claimed
EP-1546105-A1 NOVEL DERIVATIVES OF PYRIDYLETHANOL (PHENYLETHYL) AMINES AS INHIBITORS OF CHOLESTEROL BIOSYNTHESIS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Lek Pharmaceutical and Chemical Co. D.D. (SI) 2005-06-29 EP claimed
WO-2004007456-A1 NOVEL DERIVATIVES OF PYRIDYLETHANOL (PHENYLETHYL) AMINES AS INHIBITORS OF CHOLESTEROL BIOSYNTHESIS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LEK PHARMACEUTICALS D.D. (SI) 2004-01-22 WO claimed
EP-0302366-B1 Substituted pyridine derivatives BAYER AG (DE) 1994-09-14 EP claimed
EP-0302366-A2 Substituted pyridine derivatives BAYER AG (DE) 1989-02-08 EP claimed
US-12545684-B2 CDK2 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2026-02-10 US disclosed
US-20240383902-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-11-21 US disclosed
CN-118265691-A Cyclohexylbeta-hydroxyalkylamines and their medical use 阿托基公司 2024-06-28 CN disclosed
EP-4363423-A1 CDK2 INHIBITORS Blueprint Medicines Corporation (US) 2024-05-08 EP disclosed
US-11970498-B2 CDK2 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-04-30 US disclosed
CN-117897384-A CDK2 inhibitors 缆图药品公司 2024-04-16 CN disclosed
US-11932648-B2 CDK2 inhibitors BLUEPRINT MEDICINES CORPORATION (US) 2024-03-19 US disclosed
EP-0302366-A2 Substituted pyridine derivatives BAYER AG (DE) 1989-02-08 EP disclosed
EP-0302366-A2 Substituted pyridine derivatives BAYER AG (DE) 1989-02-08 EP disclosed
US-4800206-A ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-01-24 US disclosed
EP-0254856-A2 Pyridinethanol amine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-02-03 EP disclosed
EP-0194665-A1 beta-Adrenergic receptor agonist alkylaminoalkyl pyridinemethanol derivatives G.D. Searle & Co. (US) 1986-09-17 EP disclosed
US-4600710-A CARDIOTONIC, HYPOTENSIVE, VASODILATION G. D. SEARLE & CO. (US) 1986-07-15 US disclosed
US-4497964-A CARBONYLATION, HYDROGENATION SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-02-05 US disclosed