Propene

Propene

SCHEMBL6022303

C=CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[K+]

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Propene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
Propene SCHEMBL28384458 0.95
Propene SCHEMBL1583881 0.95
Propene SCHEMBL118002 0.91
Propene SCHEMBL16568392 0.87
Propene SCHEMBL19915254 0.87
Propene SCHEMBL16338827 0.84
Propene SCHEMBL16176242 0.75
Propene SCHEMBL3432457 0.75
Propene SCHEMBL28449839 0.75
Propene SCHEMBL342422 0.74

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122342-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-05 US disclosed
EP-3004096-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-04-13 EP disclosed
WO-2014195919-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-11 WO disclosed
EP-1613646-A2 PROCESS FOR PREPARATION OF CYCLOSPORIN \"A\" ANALOGUES HAVING A TERMINAL DIENE GROUP Isotechnika Inc. (CA) 2006-01-11 EP disclosed
US-20040220091-A1 Process for preparation of cyclosporin A analogs ISOTECHNIKA INC. (CA) 2004-11-04 US disclosed
WO-2004089960-A2 PROCESS FOR PREPARATION OF CYCLOSPORIN “A” ANALOGUES HAVING A TERMINAL DIENE GROUP ISOTECHNIKA INC. (CA) 2004-10-21 WO disclosed