SCHEMBL29139852

SCHEMBL29139852

CC=CCCC(CC)CCC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8968719 0.88 CA2 (0.31) CA2
SCHEMBL7101381 0.86 CA2 (0.47) CA2ALDH1A1TDP1
SCHEMBL7101386 0.86 CA2 (0.47) CA2ALDH1A1TDP1
SCHEMBL18756435 0.80
SCHEMBL3885353 0.80 ALDH1A1 (0.32) CA2ALDH1A1TDP1
SCHEMBL13594456 0.79 ALDH1A1 (0.48) ALDH1A1TDP1
SCHEMBL11209323 0.78 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL11209325 0.78 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL24695886 0.77 KDM1A (0.33)
SCHEMBL8888587 0.77 TSHR (0.38) CA2ALDH1A1TDP1

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
CN-115108973-B Electrically neutral ionic liquid and preparation method thereof 苏州旭珀禾科技有限公司 2023-11-14 CN disclosed
CN-115304531-B Zwitterionic liquid and preparation method thereof 苏州旭珀禾科技有限公司 2023-11-14 CN disclosed