SCHEMBL9900749

SCHEMBL9900749

CCC[n+]1cc[nH]c1C.COC(=O)[O-]

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
SCHEMBL21331987 0.87
Trifluoroacetic Acid SCHEMBL16700650 0.84 CCR5 (0.33)
SCHEMBL623161 0.83
Iodide SCHEMBL379644 0.81
Hydrochloric Acid SCHEMBL4231892 0.81
Bicarbonate SCHEMBL22832271 0.81 CA1 (0.32)
SCHEMBL16701174 0.80
Acetic Acid SCHEMBL527230 0.79 CA1 (0.31)
SCHEMBL16700934 0.79
Phosphoramidic Acid SCHEMBL2236409 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200804-A1 POLYSACCHARIDE AND NUCLEIC ACID FORMULATIONS CONTAINING VISCOSITY-LOWERING AGENTS Eagle Biologics, Inc. (US) 2017-08-09 EP disclosed
EP-3043774-A2 LIQUID PROTEIN FORMULATIONS CONTAINING IONIC LIQUIDS Arsia Therapeutics, Inc. (US) 2016-07-20 EP disclosed
WO-2016054259-A1 POLYSACCHARIDE AND NUCLEIC ACID FORMULATIONS CONTAINING VISCOSITY-LOWERING AGENTS Arsia Therapeutics, Inc. (US) 2016-04-07 WO disclosed
WO-2015038811-A2 LIQUID PROTEIN FORMULATIONS CONTAINING IONIC LIQUIDS Arsia Therapeutics, Inc. (US) 2015-03-19 WO disclosed
WO-2012078783-A2 IMMOBILIZATION OF IONIC LIQUIDS VIA MECHNOCHEMICAL INTERCALATION IN LAYERED MATERIALS TEXAS STATE UNIVERSITY-SAN MARCOS (US) 2012-06-14 WO disclosed