SCHEMBL28116028

SCHEMBL28116028

O=CC1CCCO1.O=CC1CCCO1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL4356648 1.00
SCHEMBL21145 1.00
SCHEMBL873523 1.00
SCHEMBL3757537 0.97
SCHEMBL2592648 0.97
Water SCHEMBL6323742 0.97
SCHEMBL28633956 0.97 HPGD (0.32) LMNAPOLBNOS2
SCHEMBL6669492 0.97
Hydrochloric Acid SCHEMBL18690254 0.97
SCHEMBL16345221 0.97

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
CN-106542949-A A kind of preparation method of clean liquid biofuel 安徽理工大学 2017-03-29 CN disclosed