SCHEMBL2218344

SCHEMBL2218344

CCn1cc[n+](C)c1.[BH4-]

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
SCHEMBL34729 0.97
Hydrochloric Acid SCHEMBL28909870 0.95 SMN1; SMN2 (0.53)
Fluoride Ion SCHEMBL635144 0.95
SCHEMBL30771552 0.95
Water SCHEMBL409263 0.95
Bromide SCHEMBL28437157 0.95 SMN1; SMN2 (0.53)
Hydrochloric Acid SCHEMBL194564 0.95
Iodide SCHEMBL410828 0.95
Bromide SCHEMBL193043 0.95
Hydrogen Sulfide SCHEMBL16733052 0.95

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-2216312-B1 PROCESS FOR PRODUCING ORGANIC COMPOUND M TECHNIQUE CO LTD (JP) 2019-05-01 EP disclosed
US-8592498-B2 Method for producing organic compound and organic compound obtained by the method M. TECHNIQUE CO., LTD. (JP) 2013-11-26 US disclosed
US-20110212362-A1 NON-AQUEOUS ELECTROLYTE SECONDARY CELL SANYO ELECTRIC CO., LTD. (JP) 2011-09-01 US disclosed
US-20110178199-A1 METHOD FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE METHOD M. TECHNIQUE CO., LTD. (JP) 2011-07-21 US disclosed
EP-2216312-A1 PROCESS FOR PRODUCING ORGANIC COMPOUND AND ORGANIC COMPOUND OBTAINED BY THE SAME M Technique Co., Ltd. (JP) 2010-08-11 EP disclosed