SCHEMBL1706479

SCHEMBL1706479

[C]#CCCCCO

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
SCHEMBL3171198 0.97 LMNA (0.38)
SCHEMBL3166776 0.97
SCHEMBL3165827 0.97 LMNA (0.38)
SCHEMBL3174014 0.97 LMNA (0.38)
SCHEMBL3177879 0.97 LMNA (0.38)
SCHEMBL3181232 0.97
SCHEMBL965817 0.90
SCHEMBL128116 0.74
SCHEMBL10945268 0.72 ALDH1A1 (0.41)
SCHEMBL4052955 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US claimed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP claimed
WO-2010144371-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-12-16 WO claimed
US-20100310500-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 EP disclosed
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed
WO-2017162661-A1 1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-8431610-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-04-30 US disclosed
US-20120301426-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-11-29 US disclosed
US-8258316-B2 Alkanoylamino benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-09-04 US disclosed
EP-2440519-A1 ALKANOYLAMINO BENZAMIDE ANILINE HDAC INIHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2012-04-18 EP disclosed
US-5196611-A PREPARATION OF ALKYL, ALKENYL, AND ALKYNYL CHLORIDES BASF AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
EP-0237169-B1 5-SUBSTITUTED OCTAHYDROINDOLIZINE ANALGESICS COMPOUNDS AND 7-KETO INTERMEDIATES McNeilab, Inc. (US) 1992-07-08 EP disclosed
EP-0187711-B1 OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS McNeilab, Inc. (US) 1990-08-29 EP disclosed
US-4800207-A Hexahydropyrrolizine compounds useful as analgesics MCNEILAB, INC. (US) 1989-01-24 US disclosed
EP-0237169-A1 5-Substituted octahydroindolizine analgesics compounds and 7-keto intermediates McNeilab, Inc. (US) 1987-09-16 EP disclosed
US-4689329-A 5-substituted octahydroindolizine analgesics compounds and 7-keto intermediates MCNEILAB, INC. (US) 1987-08-25 US disclosed
EP-0187711-A2 Octahydroindolizine compounds useful as analgesics McNeilab, Inc. (US) 1986-07-16 EP disclosed
US-4582836-A Octahydroindolizine compounds useful as analgesics MCNEILAB, INC. (US) 1986-04-15 US disclosed