SCHEMBL28397190

SCHEMBL28397190

CC(OC(=O)C(=O)O)C1CCCC(C)(C)C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL28397189 0.92 IDO1 (0.32) IDO1TDO2
SCHEMBL6337108 0.87 IDO1 (0.31) IDO1TDO2
SCHEMBL5708027 0.86 CA12 (0.30)
SCHEMBL5708034 0.85 IDO1 (0.31) IDO1TDO2
SCHEMBL756556 0.84 TSHR (0.38) IDO1TDO2
SCHEMBL6871624 0.83 IDO1 (0.30) IDO1TDO2
SCHEMBL21433086 0.83 IDO1 (0.30) IDO1TDO2
SCHEMBL5708078 0.82 ALDH1A1 (0.34)
SCHEMBL25254474 0.81 IDH1 (0.31) IDO1TDO2
SCHEMBL1396776 0.81 IDO1 (0.32) IDO1TDO2

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-111170865-B Musk compound and preparation method thereof and daily essence 东莞波顿香料有限公司 2022-06-10 CN disclosed
CN-111170865-A Musk compound and preparation method thereof and daily essence 东莞波顿香料有限公司 2020-05-19 CN disclosed