SCHEMBL30740

SCHEMBL30740

C=C[CH]C(=O)CC=C

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
SCHEMBL9067520 1.00
SCHEMBL10886655 0.75 ALDH1A1 (0.36)
SCHEMBL10886660 0.75 ALDH1A1 (0.36)
SCHEMBL175817 0.75
SCHEMBL11973890 0.75 TSHR (0.36)
SCHEMBL83045 0.73
SCHEMBL1983609 0.71 TSHR (0.42)
SCHEMBL11235245 0.71
SCHEMBL4200337 0.69
SCHEMBL4200343 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220335-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-07-22 US claimed
EP-3810137-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-04-28 EP claimed
WO-2019227149-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2019-12-05 WO claimed
WO-2018019721-A1 HERBICIDAL PYRIDINE COMPOUNDS BASF SE (DE) 2018-02-01 WO claimed
EP-2834223-A2 (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES Apac Pharmaceutical LLC. (US) 2015-02-11 EP claimed
US-8853248-B2 (1,2,3-triazolyl)sulfonyl derivatives MAEHR HUBERT (US) 2014-10-07 US claimed
WO-2013151597-A2 (1,2,3-TRIAZOLYL) SULFONYL DERIVATIVES APAC PHARMACEUTICAL LLC. (US) 2013-10-10 WO claimed
US-20130267568-A1 (1,2,3-Triazolyl)sulfonyl Derivatives MAEHR HUBERT (US) 2013-10-10 US claimed
EP-2321319-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2012-03-14 EP claimed
JP-2011529085-A 2011-12-01 JP claimed
US-20050065020-A1 Ionic liquids containing secondary hydroxyl-groups and a method for their preparation UNIVERSITY OF ALABAMA (US) 2005-03-24 US claimed
WO-2005026179-A1 IONIC LIQUIDS CONTAINING SECONDARY HYDROXYL-GROUPS AND A METHOD FOR THEIR PREPARATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2005-03-24 WO claimed
US-20050009799-A1 Cyclohexyl derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 US claimed
WO-2005000775-A2 CYCLOHEXYL DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-01-06 WO claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
WO-2004056829-A1 FUNGICIDES BASED ON NITROGEN-CONTAINING HETEROCYCLES SYNGENTA LIMITED (GB) 2004-07-08 WO claimed
CN-1202828-A Substituted pyrzolyl benzenesulfonanides for use in veterinary SEARLE & CO (US) 1998-12-23 CN claimed
CN-1141630-A Substituted pyrazolyl benzenesulfonamides for treating inflammation SEARLE & CO (US) 1997-01-29 CN claimed
EP-0213892-A2 Herbicidally active enols ROHM AND HAAS COMPANY (US) 1987-03-11 EP claimed
CN-85104158-A Δ 2-1,2,4-triazoline-5-ketone derivatives and the weed killer herbicide that contains this derivative 1986-09-03 CN claimed