SCHEMBL1230461

SCHEMBL1230461

C(N1CCCC1)=[N+]1CCCC1.COS(=O)(=O)[O-]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL14372424 0.77
SCHEMBL19713079 0.71
SCHEMBL19713075 0.70
SCHEMBL5696322 0.67
SCHEMBL16680971 0.61 TSHR (0.47)
SCHEMBL587115 0.61 TSHR (0.47)
Lithium Ion SCHEMBL1034873 0.61
SCHEMBL925566 0.61
SCHEMBL60049 0.61
SCHEMBL16700173 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245009-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2016-08-10 EP disclosed
US-9403766-B2 Intermediates for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-08-02 US disclosed
US-20160060217-A1 Processes HOOK DAVID (CH) 2016-03-03 US disclosed
US-9227934-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS AG (CH) 2016-01-05 US disclosed
US-20150246881-A1 Processes NOVARTIS AG (CH) 2015-09-03 US disclosed
US-9061973-B2 Processes for producing NEP inhibitors or prodrugs thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2015-06-23 US disclosed
US-20140243546-A1 Processes NOVARTIS AG (CH) 2014-08-28 US disclosed
US-8580974-B2 Processes NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20110046397-A1 NEW PROCESSES NOVARTIS PHARMACEUTICALS CORPORATION 2011-02-24 US disclosed
EP-2245009-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES Novartis AG (CH) 2010-11-03 EP disclosed
WO-2009090251-A2 NEW PROCESSES NOVARTIS AG (CH) 2009-07-23 WO disclosed