SCHEMBL8084434

SCHEMBL8084434

C=CCOC(C)(CN)OCC=C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 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
SCHEMBL203088 0.78
Hydrochloric Acid SCHEMBL6262277 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10824758 0.77 TSHR (0.35)
SCHEMBL8183579 0.74
SCHEMBL3990347 0.73 MEN1 (0.31)
SCHEMBL182656 0.73 MEN1 (0.31)
SCHEMBL155901 0.73 MEN1 (0.31)
SCHEMBL31346836 0.73 MEN1 (0.31)
SCHEMBL19305210 0.72 ALDH1A1 (0.42) ALDH1A1
SCHEMBL7921311 0.70

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
EP-1041976-A1 POLYAMIDE OLIGOMERS Inex Pharmaceuticals Corp. (CA) 2000-10-11 EP claimed
WO-1999033493-A1 POLYAMIDE OLIGOMERS INEX PHARMACEUTICALS CORPORATION (CA) 1999-07-08 WO claimed