SCHEMBL9717397

SCHEMBL9717397

O=C1CC(O)CO1.O=C1OCCC1O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
HTT P42858 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
SCHEMBL574767 0.83
SCHEMBL3277293 0.83
SCHEMBL52211 0.83
SCHEMBL183974 0.83
SCHEMBL826364 0.83
SCHEMBL28807141 0.83 MAP3K14 (0.36) CYP1A2
SCHEMBL107295 0.83
SCHEMBL29108602 0.83 MAP3K14 (0.36) CYP1A2
Hydrochloric Acid SCHEMBL31135223 0.81
Hydrochloric Acid SCHEMBL31135150 0.81

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
US-5116906-A Molding materials SUMITOMO CHEMICAL CO., LTD. (JP) 1992-05-26 US disclosed