SCHEMBL28028995

SCHEMBL28028995

C=CCOCC=C.O=C(O)CC(C(=O)O)S(=O)(=O)O.[MgH2]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 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
SCHEMBL1535056 0.98 CA1 (0.31) CA1CA2CA7
Ammonia Solution, Strong SCHEMBL28028567 0.97 TDP1 (0.33) CA1CA2CA7
SCHEMBL25432307 0.97 CA1 (0.30) CA1CA2CA7
Sulfuric Acid SCHEMBL28831391 0.95
Acetic Acid SCHEMBL27565714 0.94
Phosphoric Acid SCHEMBL28829852 0.92 FOLH1 (0.32)
Oxirane SCHEMBL27708146 0.91
Glycerin SCHEMBL9770856 0.90 CA1 (0.33) CA1CA2CA7
SCHEMBL27270379 0.85
SCHEMBL6277733 0.85

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-104983596-B A kind of mild conditioning shampoo composition of no silicone oil and preparation method thereof 广州百孚润化工有限公司 2018-06-12 CN disclosed
CN-104983596-A Silicone oil free mild conditioning shampoo composition and preparation method thereof GUANGZHOU BAFEORII CHEMICAL CO LTD 2015-10-21 CN disclosed