SCHEMBL10704698

SCHEMBL10704698

CC(COC(=O)CCl)[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL10706103 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL29229607 0.76 ALOX15 (0.39) MAPT
SCHEMBL8605853 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL142561 0.74
SCHEMBL10305864 0.73
SCHEMBL11061772 0.72 TSHR (0.60) ALDH1A1
SCHEMBL8840207 0.72 TSHR (0.60) ALDH1A1
SCHEMBL9925375 0.69 MAPT (0.44) ALDH1A1MAPT
Isobutanol SCHEMBL8649629 0.69 TSHR (0.42) ALDH1A1
SCHEMBL11686114 0.69 FAAH (0.39) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180854-B1 CHLOROACETATE DERIVATIVES AND GERMICIDES HODOGAYA CHEMICAL CO., LTD. (JP) 1988-06-22 EP claimed
EP-0180854-A2 Chloroacetate derivatives and germicides HODOGAYA CHEMICAL CO., LTD. (JP) 1986-05-14 EP claimed
EP-0180854-B1 CHLOROACETATE DERIVATIVES AND GERMICIDES HODOGAYA CHEMICAL CO., LTD. (JP) 1988-06-22 EP disclosed
EP-0180854-A2 Chloroacetate derivatives and germicides HODOGAYA CHEMICAL CO., LTD. (JP) 1986-05-14 EP disclosed