SCHEMBL662319

SCHEMBL662319

[CH2]CCC=C(C)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
SCHEMBL11290924 0.84 KMT2A (0.73)
SCHEMBL23581543 0.84 KMT2A (0.73)
SCHEMBL8850002 0.84 KMT2A (0.73)
SCHEMBL605282 0.81
SCHEMBL2123224 0.79
SCHEMBL1276454 0.78 KMT2A (0.65)
SCHEMBL82293 0.78
SCHEMBL82294 0.78
SCHEMBL3461578 0.77 TSHR (0.39)
SCHEMBL3462764 0.77 TSHR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609633-B2 Core 2 GlcNAc-T inhibitors MS THERAPEUTICS LIMITED (GB) 2013-12-17 US claimed
US-20120142620-A1 CORE 2 GLCNAC-T INHIBITORS BTG INTERNATIONAL LIMITED (GB) 2012-06-07 US claimed
US-20100048496-A1 Core 2 GlcNAc-T inhibitors BTG INTERNATIONAL LIMITED (GB) 2010-02-25 US claimed
EP-1802293-A4 ORALLY EFFECTIVE CANNABINOID ANALOGS PHARMOS CORP (US) 2009-04-29 EP claimed
EP-1919486-A2 CORE 2 GLCNAC-T INHIBITORS BTG INTERNATIONAL LIMITED (GB) 2008-05-14 EP claimed
EP-1802293-A2 ORALLY EFFECTIVE CANNABINOID ANALOGS PHARMOS CORPORATION (US) 2007-07-04 EP claimed
US-20070010461-A1 Core 2 GlcNAc-T inhibitors BTG INTERNATIONAL LIMITED (GB) 2007-01-11 US claimed
WO-2007003948-A2 CORE 2 GLCNAC-T INHIBITORS BTG INTERNATIONAL LIMITED (GB) 2007-01-11 WO claimed
WO-2006043260-A2 ORALLY EFFECTIVE CANNABINOID ANALOGS PHARMOS CORPORATION (US) 2006-04-27 WO claimed
EP-0195668-B1 CARBACYCLIN DERIVATIVES SANKYO COMPANY LIMITED (JP) 1991-05-15 EP claimed
EP-0195668-A2 Carbacyclin derivatives SANKYO COMPANY LIMITED (JP) 1986-09-24 EP claimed
JP-62000016-A None JP disclosed
JP-63218643-A None JP disclosed
CN-114126606-B Method for dispersing a biofilm comprising gram-negative bacteria Q生物股份有限公司 2024-06-21 CN disclosed
WO-2023172606-A1 IMPROVED FOAMING BIOSURFACTANTS LOCUS SOLUTIONS IPCO, LLC (US) 2023-09-14 WO disclosed
EP-0128028-A2 Cephalosporin derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 EP disclosed
US-4139720-A Process for the preparation of aldehydes HOFFMANN-LA ROCHE INC. (US) 1979-02-13 US disclosed
US-4123464-A Process for the preparation of aldehydes HOFFMANN-LA ROCHE INC. (US) 1978-10-31 US disclosed
US-4073811-A Process for the preparation of aldehydes HOFFMANN-LA ROCHE INC. (US) 1978-02-14 US disclosed
US-4016212-A Process for the preparation of aldehydes HOFFMANN-LA ROCHE INC. (US) 1977-04-05 US disclosed