SCHEMBL4545246

SCHEMBL4545246

CCCC1CC(C)C2C3CC(C12)C(S(=O)(=O)O)C3

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
SCHEMBL4545245 0.81 INPP5A (0.32)
SCHEMBL6368867 0.75 SLC1A2 (0.31)
SCHEMBL26868287 0.69 GRM5 (0.31)
SCHEMBL4545248 0.68
SCHEMBL4545250 0.67 CA1 (0.31)
SCHEMBL6367744 0.67
SCHEMBL22048454 0.67 CA1 (0.38)
SCHEMBL25834633 0.65 GRM5 (0.32)
SCHEMBL9944398 0.65 GRM5 (0.32)
SCHEMBL26868280 0.64 GRM5 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168349-B2 Fuel cell-purpose electrolyte material and production method therefor TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2012-05-01 US disclosed
US-20090136819-A1 Fuel Cell-Purpose Electrolyte Material and Production Method Therefor TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed