SCHEMBL28116423

SCHEMBL28116423

CCC(=O)CC.COC1(OC)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL28133283 0.84 TDP1 (0.34) TDP1
SCHEMBL27889290 0.82
SCHEMBL27675580 0.76
SCHEMBL27650404 0.75 TDP1 (0.36) TDP1
SCHEMBL27700054 0.74 TDP1 (0.39) TDP1
SCHEMBL27791958 0.74 TDP1 (0.39) TDP1
SCHEMBL28764672 0.74 TDP1 (0.39) TDP1
SCHEMBL27589537 0.74 TDP1 (0.39) TDP1
SCHEMBL27650410 0.72 TDP1 (0.33) TDP1
Acetophenone SCHEMBL28236150 0.72 SMN1; SMN2 (0.40)

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-106242967-A The new technique for synthesizing of methyl benzoylformate 怀化金鑫新材料有限公司 2016-12-21 CN claimed
CN-110536911-A Composition and application thereof for 3D printing system BASF SE 2019-12-03 CN disclosed