SCHEMBL9798558

SCHEMBL9798558

O=C(Cl)OCCCCC1COC(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.32
HTT P42858 1/20 0.31
EPHX1 P07099 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
SCHEMBL9798155 0.89 HTT (0.33) HTT
SCHEMBL231863 0.81 TSHR (0.49) NAAA
SCHEMBL229724 0.80 TSHR (0.45) NAAAHTT
SCHEMBL9999670 0.80 CYP1A2 (0.37) HTT
SCHEMBL5836615 0.79 L3MBTL1 (0.37)
SCHEMBL28117402 0.78
Methacrylic Acid SCHEMBL31166304 0.78 ALDH1A1 (0.33) NAAAHTT
SCHEMBL28117980 0.78
SCHEMBL17227787 0.78 CYP1A2 (0.40) HTTEPHX1
SCHEMBL16169943 0.78 ALDH1A1 (0.31) HTT

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-5047261-A Monoacrylated Alkylene Dicarbonate SOCIETE NATIONALE DES POURDRES ET EXPLOSIFS (FR) 1991-09-10 US disclosed