SCHEMBL2587734

SCHEMBL2587734

CC(=O)CC(=O)C(=O)O.O=C(OF)C(=O)C(F)(F)C(=O)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL1681634 0.78
SCHEMBL2171964 0.77 ERCC5 (0.57) MAPT
Trifluoroacetic Acid SCHEMBL7187277 0.77
SCHEMBL4377472 0.76
SCHEMBL3149097 0.76
Water SCHEMBL3732215 0.76
SCHEMBL19423 0.70
SCHEMBL2920160 0.67 EGLN1 (0.42) ALDH1A1
SCHEMBL2124398 0.67 EGLN1 (0.42) ALDH1A1
SCHEMBL6849888 0.67 EGLN1 (0.42) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197905-A1 METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS Clariant Plastics & Coatings Ltd (CH) 2017-08-02 EP disclosed
WO-2016045976-A1 METHOD FOR PRODUCING ETHYLENEDIALKYLPHOSPHINIC ACIDS, ESTERS AND SALTS, AND THE USE THEREOF AS FLAME RETARDANTS CLARIANT INTERNATIONAL LTD (CH) 2016-03-31 WO disclosed
EP-2563798-A2 METHOD FOR PRODUCING ALKYLPHOSPHONOUS ACID SALTS Clariant Finance (BVI) Limited (VG) 2013-03-06 EP disclosed
WO-2011134621-A2 METHOD FOR PRODUCING ALKYLPHOSPHONOUS ACID SALTS CLARIANT INTERNATIONAL LTD (CH) 2011-11-03 WO disclosed