SCHEMBL8561829

SCHEMBL8561829

C=C(O)C(=O)[O-].C=C(O)C(=O)[O-].CCCCC1=C([Hf+2]C2=C(CCCC)C=CC2)CC=C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4576636 0.82
Fluoride Ion SCHEMBL1130342 0.82
SCHEMBL8560779 0.81
Hydrochloric Acid SCHEMBL5486364 0.80
SCHEMBL8561094 0.79
Hydrochloric Acid SCHEMBL2277860 0.79
Phenol SCHEMBL4433100 0.77 ORAI1 (0.32)
Fluoride Ion SCHEMBL5085381 0.77 TDP1 (0.30)
Hydrochloric Acid SCHEMBL2276757 0.77 TDP1 (0.33)
Hydrochloric Acid SCHEMBL9581304 0.76 ACHE (0.33) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0848015-A1 Catalyst for the production of functionalized polymers HOECHST AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed