SCHEMBL3967086

SCHEMBL3967086

N=CN1CCCCC1

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
SCHEMBL5407310 1.00
SCHEMBL10374846 1.00
Hydrochloric Acid SCHEMBL11406903 0.97
SCHEMBL1648618 0.96
SCHEMBL5403195 0.96
Iodide SCHEMBL18249294 0.93
SCHEMBL6187126 0.71
SCHEMBL10332690 0.71
SCHEMBL11165550 0.71
SCHEMBL2254566 0.69 CA1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019202459-A1 USE OF 4-SUBSTITUTED PHENYLAMIDINE COMPOUNDS FOR CONTROLLING DISEASE RUST DISEASES IN PLANTS PI INDUSTRIES LTD. (IN) 2019-10-24 WO claimed
EP-1504014-B1 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2015-12-02 EP claimed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US claimed
EP-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP claimed
US-20070203339-A1 Process for Preparation of Cyclic Prodrugs of PMEA and PMPA METABASIS THERAPEUTICS, INC. 2007-08-30 US claimed
US-7193081-B2 9-(2-(2,4-cis(S)-4-(3-chlorophenyl)-2-oxo-1,3,2-dioxaphosphor-inan-2 -yl)methoxyethyl)adenine by coupling the dichloridate of 9-(2-phosphonyl- methoxyethyl- or propyl)adenine (PMEA)(PMPA) with a 1-(chlorophenyl) propylene-1,3-diol METABASIS THERAPEUTICS, INC. (US) 2007-03-20 US claimed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO claimed
EP-1504014-A4 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2006-06-07 EP claimed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 US claimed
EP-1504014-A2 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA Metabasis Therapeutics, Inc. (US) 2005-02-09 EP claimed
US-20030225277-A1 Process for preparation of cyclic prodrugs of PMEA and PMPA METABASIS THERAPEUTICS, INC. 2003-12-04 US claimed
WO-2003095665-A2 PMEA AND PMPA CYCLIC PRODUCING SYNTHESIS METABASIS THERAPEUTICS, INC. (US) 2003-11-20 WO claimed
EP-0087853-B1 4-DIPHENYLMETHYL-1-(OXOALKYL)IMINO)METHYL-PIPERIDINES AND THEIR DERIVATIVES McNeilab, Inc. (US) 1986-04-30 EP claimed
EP-0087853-A2 4-Diphenylmethyl-1-(oxoalkyl)imino)methyl-piperidines and their derivatives McNeilab, Inc. (US) 1983-09-07 EP claimed
US-4251655-A GASTRIC ACID ANTISECRETORY AGENTS MCNEILAB, INC. (US) 1981-02-17 US claimed
CN-118324741-A Pyrazole ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2024-07-12 CN disclosed
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP disclosed
US-4251655-A GASTRIC ACID ANTISECRETORY AGENTS MCNEILAB, INC. (US) 1981-02-17 US disclosed
US-4251655-A GASTRIC ACID ANTISECRETORY AGENTS MCNEILAB, INC. (US) 1981-02-17 US disclosed
US-4251655-A GASTRIC ACID ANTISECRETORY AGENTS MCNEILAB, INC. (US) 1981-02-17 US disclosed