SCHEMBL3955313

SCHEMBL3955313

COC(C)O[Al+2].[H-].[H-]

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
SCHEMBL4993325 0.97
SCHEMBL1153 0.71
SCHEMBL11615697 0.71
SCHEMBL5306546 0.71 LMNA (0.31)
Water SCHEMBL5322619 0.68
Bromide SCHEMBL7643612 0.68
Water SCHEMBL1269330 0.68
SCHEMBL3473432 0.68
SCHEMBL7033908 0.68
Bromide SCHEMBL7648010 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594835-A4 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS INC (US) 2007-05-02 EP claimed
EP-1594835-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES Auspex Pharmaceuticals, Inc. (US) 2005-11-16 EP claimed
WO-2004064745-A2 METHOD OF PREPARATION OF HETEROCYCLIC MOLECULES WITH PHARMACEUTICAL PHARMACEUTICAL EXCIPIENT COSMECEUTICAL AGROCHEMICAL AND INDUSTRIAL USES AUSPEX PHARMACEUTICALS, INC. (US) 2004-08-05 WO claimed
EP-3880655-A1 SYNTHETIC PROCESSES FOR THE PRODUCTION OF 1-((3S,4R)-4-(2,6-DIFLUORO-4-METHOXYPHENYL)-2-OXOPYRROLIDIN-3-YL)-3-PHENYLUREA Bristol-Myers Squibb Company (US) 2021-09-22 EP disclosed
WO-2020102643-A1 SYNTHETIC PROCESSES FOR THE PRODUCTION OF 1-((3S,4R)-4-(2,6-DIFLUORO-4-METHOXYPHENYL)-2-OXOPYRROLIDIN-3-YL)-3-PHENYLUREA BRISTOL-MYERS SQUIBB COMPANY (US) 2020-05-22 WO disclosed
CN-107501159-A The cyanoindole synthetic method of vilazodone intermediate 3 (4 chlorobutyl) 5 连云港恒运药业有限公司 2017-12-22 CN disclosed
CN-105601536-B A kind of preparation method of vilazodone intermediate 北京凯莱天成医药科技有限公司 2017-10-13 CN disclosed
CN-105601536-A Vilazodone intermediate preparation method BEIJING CHIRAL-TECH PHARMACEUTICAL TECH CO LTD 2016-05-25 CN disclosed
CN-102267985-B The preparation method of vilazodone or its hydrochloride SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-12-09 CN disclosed
CN-103304547-A Preparation method of antidepressant drug-vilazodone UNIV CHINA PHARMA 2013-09-18 CN disclosed
CN-102898346-A Preparation method of vilazodone hydrochloride intermediate LIU FENGGANG 2013-01-30 CN disclosed
CN-1100301-A Drug for neuroprotection DAIICHI SEIYAKU CO (JP) 1995-03-22 CN disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
EP-0154445-A1 Analogues of antibiotic cc-1065 THE UPJOHN COMPANY (US) 1985-09-11 EP disclosed
US-4323504-A Cyclohexyl cyclohexyl dioxane liquid crystalline compounds and admixture containing same TIMEX CORPORATION (US) 1982-04-06 US disclosed
US-4323473-A Cyclohexyl cyclohexyl dioxane liquid crystalline compounds and admixture containing same TIMEX CORPORATION (US) 1982-04-06 US disclosed
US-4189431-A CYCLIZATION OF POLYENINE TO POLYCYCLIC COMPOUND HAVING CYCLOPENTANO RING The Board of Trustees of Leland Stanford Junior University (US) 1980-02-19 US disclosed
US-4189606-A ABOSTIFACIENT GRUPPO LEPETIT S.P.A. (IT) 1980-02-19 US disclosed
US-4182903-A ABOSTIFACIENTS GRUPPO LEPETIT S.P.A. (IT) 1980-01-08 US disclosed
US-4055603-A HORMONES THE BOARD OF TRUSTEES OF LELAND STANFORD JUNIOR UNIVERSITY (US) 1977-10-25 US disclosed