SCHEMBL7768663

SCHEMBL7768663

C=Cc1ccccc1COCCCBr

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TEAD3 Q99594 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL3959527 0.95 ALDH1A1 (0.32) ALDH1A1BCHEACHE
SCHEMBL7766585 0.94 BCHE (0.34) ALDH1A1BCHEACHE
SCHEMBL7763456 0.94 BCHE (0.34) ALDH1A1BCHEACHE
SCHEMBL9193381 0.88 ALDH1A1 (0.36) ALDH1A1TEAD3BCHEACHE
SCHEMBL9193908 0.88 ALDH1A1 (0.36) ALDH1A1TEAD3BCHEACHE
SCHEMBL759640 0.83 ALDH1A1 (0.40) ALDH1A1BCHEACHE
SCHEMBL8758480 0.83 ALDH1A1 (0.33) ALDH1A1TEAD3
SCHEMBL9544583 0.83 L3MBTL1 (0.35) ALDH1A1TEAD3BCHEACHE
SCHEMBL7768640 0.83 ALDH1A1 (0.33) ALDH1A1TEAD3
SCHEMBL7768631 0.82 GBA1 (0.33) ALDH1A1TEAD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed