SCHEMBL24938703

SCHEMBL24938703

CNC1=C(C)C=CC(C)(C)C=C1

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
SCHEMBL23019159 0.74
SCHEMBL19486389 0.73
SCHEMBL14339134 0.68 THRA (0.31)
SCHEMBL22812409 0.65
SCHEMBL4188239 0.64
SCHEMBL1100011 0.62
SCHEMBL19486322 0.60
SCHEMBL22766734 0.59
SCHEMBL19562954 0.59
SCHEMBL23442949 0.58

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
EP-3960834-B1 NOVEL COOLANT WITH LOW ELECTRICAL CONDUCTIVITY BASF SE (DE) 2023-07-05 EP disclosed
EP-4124640-A1 NOVEL USE FOR COOLANTS WITH LOW ELECTRICAL CONDUCTIVITY BASF SE (DE) 2023-02-01 EP disclosed