SCHEMBL1463397

SCHEMBL1463397

CC(C)NCC=O

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
SCHEMBL25554865 0.78 ADH1B (0.32)
SCHEMBL16384410 0.77
SCHEMBL7717683 0.75
SCHEMBL26613923 0.73
SCHEMBL12059352 0.73
SCHEMBL6039614 0.73 ADH1B (0.33)
SCHEMBL333219 0.71
SCHEMBL11630524 0.71 ADH1B (0.32)
SCHEMBL2385629 0.71
SCHEMBL14765343 0.70 HTR1B (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111819176-B 4-azaindole compounds 百时美施贵宝公司 2023-12-15 CN claimed
CN-103705509-A Isoxazoline compositions and their use as antiparasitics INTERVET INT BV 2014-04-09 CN claimed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-19 US disclosed
US-11013746-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-25 US disclosed
US-20190117666-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-04-25 US disclosed
EP-2854815-B1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMA CO LTD (JP) 2017-11-22 EP disclosed
US-20170239265-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-24 US disclosed
US-20170196877-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-07-13 US disclosed
WO-2006044133-A1 ACTIVE KETONE INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-04-27 WO disclosed
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
CN-1185148-A Azolyl oxybenzyl alkoxyacrylic acdid esters, prepn. method and use thereof BASF AG (DE) 1998-06-17 CN disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
US-4116670-A HERBICIDES VELSICOL CHEMICAL COMPANY (US) 1978-09-26 US disclosed
US-4113464-A HERBICIDES VELSICOL CHEMICAL COMPANY (US) 1978-09-12 US disclosed
US-4110101-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1978-08-29 US disclosed
US-3883521-A 3-Substituted-5-aminomethyl-6-carbethoxy(oxazino {8 5{40 ,6{40 {0 E indoles). DELALANDE SA 1975-05-13 US disclosed