Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL4622376

CCCCC1(CC)C(=O)SC2=C(C(=O)C(SCC(=O)N[C@@H](C(=O)NCCS(=O)(=O)O)c3ccc(OC(=O)CNC(=O)[C@H](NC(=O)CSC4C=CC5=C(C4=O)C(c4ccccc4)C(O)C(CC)(CCCC)C(=O)S5)c4ccccc4)cc3)C=C2)C(c2ccccc2)C1O.N

nearest known ligand 0.00

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⚠ 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
Ammonia Solution, Strong SCHEMBL3875475 0.91
SCHEMBL5273747 0.86
SCHEMBL6271127 0.66 SLC10A2 (0.35)
Ammonia Solution, Strong SCHEMBL4637644 0.64 NR1H4 (0.33)
Ammonia Solution, Strong SCHEMBL3611677 0.62 SLC10A2 (0.49)
SCHEMBL3611683 0.61 SLC10A2 (0.34)
Ammonia Solution, Strong SCHEMBL1183723 0.61 SLC10A2 (0.52)
SCHEMBL3875478 0.61 MTTP (0.32)
SCHEMBL931590 0.60 SLC10A2 (0.36)
SCHEMBL5762558 0.60 SLC10A2 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896409-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137795-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS ASTRAZENECA AB (SE) 2006-12-28 WO disclosed
EP-1699759-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061452-A1 DIPHENYLAZETIDINONE DERIVATES POSSESSING CHOLESTEROL ABSORPTION INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
EP-1521742-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005247-A1 DIPHENYLAZETIDINONE DERIVATIVES FOR TREATING DISORDERS OF THE LIPID METABOLISM ASTRAZENECA AB (SE) 2004-01-15 WO disclosed