SCHEMBL3471273

SCHEMBL3471273

CCOP([O-])[O-].CCc1[nH]cc[n+]1C.CCc1[nH]cc[n+]1C

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
SCHEMBL3474150 0.86
SCHEMBL3471364 0.82
Water SCHEMBL3942297 0.80
Hydrochloric Acid SCHEMBL367559 0.80
Bromide SCHEMBL273016 0.80
Hydrochloric Acid SCHEMBL7027506 0.78
Phosphoric Acid SCHEMBL4397366 0.75
SCHEMBL19638721 0.75
SCHEMBL3712659 0.74
Carbon Monoxide SCHEMBL3635403 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9375497-B2 [F-18]-labeled L-glutamic acid, [F-18]-labeled L-glutamine, derivatives thereof and use thereof and processes for their preparation PIRAMAL IMAGING SA (CH) 2016-06-28 US disclosed
US-20140301948-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-09 US disclosed
US-20100217011-A1 [F-18]-LABELED L-GLUTAMIC ACID, [F-18]-LABELED L-GLUTAMINE, DERIVATIVES THEREOF AND USE THEREOF AND PROCESSES FOR THEIR PREPARATION BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 US disclosed