SCHEMBL3683748

SCHEMBL3683748

CCC(N)O.CNCC(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ANPEP P15144 1/20 0.38
KDM4E B2RXH2 3/20 0.34
KISS1R Q969F8 2/20 0.31
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR1A P08908 1/20 0.30
THPO P40225 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NMUR2 Q9GZQ4 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL152642 0.84
SCHEMBL879230 0.84
SCHEMBL879244 0.84
Hydrochloric Acid SCHEMBL31592015 0.81
Hydrochloric Acid SCHEMBL589030 0.81
Water SCHEMBL10587989 0.81
Hydrochloric Acid SCHEMBL5330517 0.81
Pentane SCHEMBL18124383 0.77 TSHR (0.38) TSHRKDM4EKISS1R
SCHEMBL1289799 0.75
Dimethylamine SCHEMBL28030493 0.75

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
US-7691941-B2 Low-solvent or solvent-free crosslinker dispersions with pyrazole-blocked isocyanate groups BAYER MATERIAL SCIENCE AG (DE) 2010-04-06 US disclosed
US-20070282062-A1 Low-solvent or solvent-free crosslinker dispersions with pyrazole-blocked isocyanate groups BAYER MATERIALSCIENCE AG 2007-12-06 US disclosed