SCHEMBL29013124

SCHEMBL29013124

CC(N=C=O)C1CCCCC1.CC1CCCCC1.N=C=O.N=C=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 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
SCHEMBL49907 0.93 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1149018 0.87 ALDH1A1 (0.39) ALDH1A1EPHX1
SCHEMBL957438 0.87 ALDH1A1 (0.39) ALDH1A1EPHX1
SCHEMBL957439 0.87 ALDH1A1 (0.39) ALDH1A1EPHX1
SCHEMBL533619 0.77
SCHEMBL11052080 0.77
SCHEMBL265848 0.77 KMT2A (0.39) ALDH1A1EPHX1
Cyclohexane SCHEMBL9547725 0.77 KMT2A (0.39) ALDH1A1EPHX1
SCHEMBL15575 0.77 KMT2A (0.39) ALDH1A1EPHX1
SCHEMBL498527 0.77 KMT2A (0.39) ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116075537-A Solvent for resin synthesis and method for producing synthetic resin using the same 科巨希化学股份有限公司 2023-05-05 CN disclosed