SCHEMBL9538650

SCHEMBL9538650

CCOP(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL27674548 1.00 ALDH1A1 (0.33) ALDH1A1TP53
SCHEMBL6102 1.00 ALDH1A1 (0.33) ALDH1A1TP53
SCHEMBL11552040 0.96 ALDH1A1 (0.32) ALDH1A1TP53
Ammonia Solution, Strong SCHEMBL3751918 0.96 ALDH1A1 (0.32) ALDH1A1TP53
Phosphine SCHEMBL8140714 0.96 ALDH1A1 (0.32) ALDH1A1TP53
SCHEMBL11548513 0.96 ALDH1A1 (0.32) ALDH1A1TP53
SCHEMBL11594155 0.96 ALDH1A1 (0.32) ALDH1A1TP53
SCHEMBL11791256 0.96 ALDH1A1 (0.32) ALDH1A1TP53
SCHEMBL8648455 0.96 ALDH1A1 (0.32) ALDH1A1TP53
SCHEMBL9116247 0.96 ALDH1A1 (0.32) ALDH1A1TP53

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
WO-1993003042-A1 6-ETHYLIDENE PENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-02-18 WO disclosed
WO-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed