SCHEMBL8008495

SCHEMBL8008495

CCCC(N)C=CN

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
SCHEMBL10982464 0.80 OPRM1 (0.46)
SCHEMBL11801215 0.80 OPRM1 (0.46)
SCHEMBL13370213 0.78
SCHEMBL28272075 0.78
SCHEMBL27961076 0.78
SCHEMBL249458 0.77
SCHEMBL8480855 0.77
SCHEMBL23367627 0.76
SCHEMBL27566037 0.76
SCHEMBL10279907 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699106-B1 METHOD OF FLOATING CALCIUM CARBONATE ORE AND FLOTATION REAGENT THEREFOR BEROL NOBEL AB (SE) 2000-01-12 EP disclosed
US-5720873-A SEPARATING SILICATE IMPURITIES IN CALCITE BY FROTH FLOTATION USING A MIXTURE OF A HYDROPHOBIC QUATERNARY AMINE AND AN ADDUCT OF AN ALKYLENE OXIDE AND AMINE COMPOUND AKZO NOBEL NV (NL) 1998-02-24 US disclosed
EP-0699106-A1 METHOD OF FLOATING CALCIUM CARBONATE ORE AND FLOTATION REAGENT THEREFOR Berol Nobel AB (SE) 1996-03-06 EP disclosed
WO-1994026419-A1 METHOD OF FLOATING CALCIUM CARBONATE ORE AND FLOTATION REAGENT THEREFOR BEROL NOBEL AB (SE) 1994-11-24 WO disclosed