SCHEMBL28038472

SCHEMBL28038472

CC(C)(C)C1(C(=O)C2(C(C)(C)C)CCCCC2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 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
SCHEMBL1464652 0.82 ALDH1A1 (0.35) CYP2C19
SCHEMBL22958 0.82 CYP2C19 (0.38) CYP2C19
SCHEMBL14825438 0.82 ALDH1A1 (0.31)
SCHEMBL5730111 0.80 TSHR (0.30) CYP2C19
SCHEMBL13446458 0.79 FFAR3 (0.38) CYP2C19
SCHEMBL13223471 0.79 GAA (0.33)
SCHEMBL15925089 0.79
SCHEMBL2200322 0.78 NPSR1 (0.33)
SCHEMBL11377522 0.78
SCHEMBL23083391 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103025708-B The catalysis process that carbonyl compound is oximes DSM IP ASSETS B.V. (NL) 2015-12-16 CN claimed
CN-110177473-A Composition for improving cognitive function comprising novel quercetin-based compound 株式会社爱茉莉太平洋 2019-08-27 CN disclosed
CN-110088117-A Novel compounds like quercetol 株式会社爱茉莉太平洋 2019-08-02 CN disclosed
CN-103360324-B New pyrimidine derivatives and the application in perfume compositions thereof 国际香料和香精公司 2016-12-21 CN disclosed
CN-103025708-B The catalysis process that carbonyl compound is oximes DSM IP ASSETS B.V. (NL) 2015-12-16 CN disclosed