SCHEMBL28051698

SCHEMBL28051698

[LiH].[SiH3]C1(Oc2ccccc2)CCCCO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
FAAH O00519 1/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL28127207 0.98 HTR1A (0.34) HTR1AADRA1DADRA1BFAAHMEN1
SCHEMBL28301642 0.77
SCHEMBL9150620 0.75 HTR1A (0.31) HTR1AADRA1DADRA1BFAAHMEN1
SCHEMBL12989493 0.75 POLB (0.34) HTR1AADRA1DADRA1BFAAHMEN1
SCHEMBL7532040 0.75 FAAH (0.33) HTR1AADRA1DADRA1BFAAHMEN1
SCHEMBL6369878 0.75 HTR1A (0.31) HTR1AADRA1DADRA1BFAAHMEN1
SCHEMBL31233121 0.75 AKR1C1 (0.43) FAAHMEN1KMT2A
SCHEMBL5344521 0.75 KCNH2 (0.32) HTR1AADRA1DADRA1BFAAH
SCHEMBL29030589 0.75
SCHEMBL10728607 0.75 TSHR (0.35)

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
CN-105254898-A Preparation method of polypmethyl phenyl siloxane alcohol lithium Shandong dongyue organic silicon material co ltd 2016-01-20 CN disclosed
CN-105254898-A Preparation method of polypmethyl phenyl siloxane alcohol lithium Shandong dongyue organic silicon material co ltd 2016-01-20 CN disclosed