SCHEMBL4114852

SCHEMBL4114852

CN(C)C(=O)[C@H]1CC[C@H](N)[C@H](NC(=O)OC(=O)C(=O)OC(=O)N[C@@H]2C[C@@H](C(=O)N(C)C)CC[C@@H]2N)C1

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
Water SCHEMBL14908947 0.98 — —
SCHEMBL31084796 0.84 BTK (0.46) —
SCHEMBL31084799 0.84 BTK (0.46) —
SCHEMBL31084800 0.84 BTK (0.46) —
SCHEMBL4089866 0.84 BTK (0.46) —
SCHEMBL15078163 0.84 BTK (0.46) —
SCHEMBL31084797 0.84 BTK (0.46) —
SCHEMBL31084801 0.84 BTK (0.46) —
SCHEMBL31084798 0.84 BTK (0.46) —
SCHEMBL1503908 0.83 MME (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024120275-A1 PREPARATION METHOD FOR EDOXABAN AND INTERMEDIATE THEREOF 浙江华海药业股份有限公司 2024-06-13 — — WO claimed
EP-2980090-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE Daiichi Sankyo Co., Ltd. (JP) 2016-02-03 — — EP claimed
WO-2024120275-A1 PREPARATION METHOD FOR EDOXABAN AND INTERMEDIATE THEREOF 浙江华海药业股份有限公司 2024-06-13 — — WO disclosed
WO-2019004114-A1 PRODUCTION METHOD FOR DIAMINE DERIVATIVE BY FLOW SYNTHESIS 第一三共株式会社 2019-01-03 — — WO disclosed
EP-2602242-B1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO CO LTD (JP) 2017-08-23 — — EP disclosed
EP-2980067-B1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2017-05-17 — — EP disclosed
EP-2589590-B1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO CO LTD (JP) 2016-12-28 — — EP disclosed
US-9447118-B2 Preparation method of optically active diamine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-09-20 — — US disclosed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 — — EP disclosed
EP-2980067-A1 PROCESSES FOR PREPARING OPTICALLY ACTIVE DIAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-02-03 — — EP disclosed
EP-2980090-A1 METHOD FOR PRODUCING (1S,4S,5S)-4-BROMO-6-OXABICYCLO[3.2.1]OCTAN-7-ONE Daiichi Sankyo Co., Ltd. (JP) 2016-02-03 — — EP disclosed
EP-2407450-B1 Method for producing optically active diamine derivative DAIICHI SANKYO CO LTD (JP) 2015-04-22 — — EP disclosed
US-8901345-B2 Process for preparation of optically active diamine derivative salt DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-20130165657-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-27 — — US disclosed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 — — EP disclosed
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-06 — — US disclosed
EP-2589590-A1 PROCESS FOR PREPARATION OF OPTICALLY ACTIVE DIAMINE DERIVATIVE SALT DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-08 — — EP disclosed
US-8357808-B2 Process for producing diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-22 — — US disclosed
US-20090105491-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-23 — — US disclosed
EP-1925611-A1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-05-28 — — EP disclosed
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