SCHEMBL28700620

SCHEMBL28700620

CC(OC1CCCCC1)(OC1CCCCC1)C(C)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ACHE P22303 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CYP19A1 P11511 1/20 0.32
EPHX1 P07099 1/20 0.31
NPC1 O15118 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
SCHEMBL28709224 0.97 THRB (0.30) ACHE
SCHEMBL13696645 0.82 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL9623348 0.82 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL12166804 0.82 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL11625556 0.82 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL190490 0.82 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL7184843 0.82 CA1 (0.33) CA1CA2ACHECA12CA9
SCHEMBL191513 0.79 ACHE (0.30) ACHE
SCHEMBL24616685 0.78 CA1 (0.36) CA1CA2ACHECA12CA9
SCHEMBL1356953 0.78 CA1 (0.36) CA1CA2ACHECA12CA9

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-114106223-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-03-01 CN disclosed
CN-114106222-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-03-01 CN disclosed