SCHEMBL28355654

SCHEMBL28355654

BCCCCOC(N)=S.[Zn]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32

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
SCHEMBL2745918 0.84 CA12 (0.40) CA12CA1CA2CA9
SCHEMBL2746575 0.79 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL28544639 0.76 CA12 (0.58) CA12CA1CA2CA9
SCHEMBL10617522 0.76 TSHR (0.33)
SCHEMBL28474594 0.75
SCHEMBL9583014 0.74 CA12 (0.57) CA12CA1CA2CA9
SCHEMBL2216270 0.74 CA12 (0.57) CA12CA1CA2CA9
SCHEMBL5319898 0.74 CA12 (0.57) CA12CA1CA2CA9
SCHEMBL35746 0.73 CA1 (0.48) CA12CA1CA2CA9
SCHEMBL9870205 0.73 CA12 (0.60) CA12CA1CA2CA9

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-110643411-A Synthetic power engine oil reinforcing agent and preparation method thereof 晋江市三豪汽车配件有限公司 2020-01-03 CN disclosed