SCHEMBL7500890

SCHEMBL7500890

CCCCCCCCCCCCn1nnc(C(C(=O)Nc2c(OC)cc(OC)cc2OC)=C(C)C)n1

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
SCHEMBL9139371 0.85
SCHEMBL9139416 0.85
SCHEMBL7509200 0.82
SCHEMBL7509192 0.82
SCHEMBL6934164 0.80
SCHEMBL6940095 0.80
SCHEMBL6937052 0.78 KDM4E (0.57)
SCHEMBL7510389 0.78
SCHEMBL6942199 0.78
SCHEMBL6936137 0.78

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203767-A1 Heterocyclic-substituted alkylamide acat inhibitors WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
US-5693657-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1997-12-02 US disclosed
US-5646170-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1997-07-08 US disclosed
EP-0600950-B1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER LAMBERT CO (US) 1996-10-23 EP disclosed
EP-0684945-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1995-12-06 EP disclosed
US-5441975-A Anticholesterol agent WARNER-LAMBERT COMPANY (US) 1995-08-15 US disclosed
US-5366987-A Enzyme inhibitors, anticholesterol WARNER-LAMBERT COMPANY (US) 1994-11-22 US disclosed
WO-1994019330-A1 HETEROCYCLIC-SUBSTITUTED ALKYL AMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-09-01 WO disclosed
EP-0600950-A1 AMIDE TETRAZOLE ACAT INHIBITORS. WARNER LAMBERT CO (US) 1994-06-15 EP disclosed
WO-1993004052-A1 AMIDE TETRAZOLE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-03-04 WO disclosed