SCHEMBL9440396

SCHEMBL9440396

COOC(=O)[O-].COOC(=O)[O-].[Mg+2]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA4 P22748 2/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL29010409 0.93
SCHEMBL28445148 0.93
SCHEMBL8426280 0.78
SCHEMBL1681011 0.74 ALDH1A1 (0.47) CA1CA4ALDH1A1
Choline SCHEMBL10353660 0.74 LMNA (0.48)
SCHEMBL2494349 0.72
SCHEMBL8430214 0.72 CA1 (0.31) CA1CA4
SCHEMBL30278632 0.70 CA4 (0.36) CA1CA4
SCHEMBL668786 0.70 CA4 (0.46) CA1CA4
Potassium Ion SCHEMBL80042 0.70 CA4 (0.46) CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114753186-B Paper deacidification composite material with high-stability suspension dispersion in fluorocarbon medium and preparation method and application thereof 南京大学 2022-12-09 CN disclosed
CN-114753186-A Paper deacidification composite material with high-stability suspension dispersion in fluorocarbon medium and preparation method and application thereof 南京大学 2022-07-15 CN disclosed
EP-0526488-B1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER (US) 1994-11-30 EP disclosed
US-5326905-A Benzylphosphonic acid tyrosine kinase inhibitors PFIZER INC. (US) 1994-07-05 US disclosed
EP-0526488-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS. PFIZER (US) 1993-02-10 EP disclosed
WO-1991015495-A1 BENZYLPHOSPHONIC ACID TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed