SCHEMBL9109840

SCHEMBL9109840

[CH2]C1CC2CCCCC2O1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL310279 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10187335 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9109847 0.70 ALDH1A1 (0.33) ALDH1A1
SCHEMBL7142195 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7136057 0.68 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28360266 0.67 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10512566 0.65
SCHEMBL12404661 0.65
SCHEMBL649579 0.64
SCHEMBL172869 0.64 ALDH1A1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed