SCHEMBL22404499

SCHEMBL22404499

C=C(O)/C=C(OC)\C(O)=C(/C)OC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL23340745 0.83
SCHEMBL16510136 0.70
SCHEMBL18682910 0.67
SCHEMBL17432911 0.67 ALDH1A1 (0.33)
SCHEMBL21422963 0.65
SCHEMBL13653436 0.65
SCHEMBL12852396 0.65
SCHEMBL14212817 0.64
SCHEMBL14212820 0.64
SCHEMBL13850259 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11831017-B2 Redox flow battery electrolytes CMBLU ENERGY AG (DE) 2023-11-28 US disclosed
US-11773537-B2 Sulfonated lignin-derived compounds and uses thereof CMBLU ENERGY AG (DE) 2023-10-03 US disclosed
US-20230304221-A1 Sulfonated Lignin-Derived Compounds And Uses Thereof CMBLU ENERGY AG (DE) 2023-09-28 US disclosed
US-20230160143-A9 Sulfonated Lignin-Derived Compounds and uses Thereof CMBLU PROJEKT AG (DE) 2023-05-25 US disclosed
US-20210276945-A1 Sulfonated Lignin-Derived Compounds and uses Thereof CMBLU PROJEKT AG (DE) 2021-09-09 US disclosed
US-20210024453-A1 AMINATED LIGNIN-DERIVED COMPOUNDS AND USES THEREOF CMBLU PROJEKT AG (DE) 2021-01-28 US disclosed
US-20210020943-A1 Redox Flow Battery Electrolytes CMBLU ENERGY AG (DE) 2021-01-21 US disclosed
US-20200283380-A1 Process For The Production Of Lignin Derived Low Molecular Products CMBLU ENERGY AG (DE) 2020-09-10 US disclosed