SCHEMBL20180899

SCHEMBL20180899

C=CCN(CC)COCCCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 5/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PLA2G2C Q5R387 1/20 0.31
CYP3A4 P08684 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
SCHEMBL21099622 0.94 MEN1 (0.40) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL22923000 0.93 MEN1 (0.39) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL10071600 0.92 TSHR (0.37) MEN1POLBKMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL30885629 0.90 TSHR (0.35) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL10071598 0.86 CES2 (0.38) MEN1POLBKMT2ATSHRALDH1A1
Hydrochloric Acid SCHEMBL28369929 0.85 CES2 (0.37) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL10071611 0.85 CES2 (0.41) MEN1KMT2ATSHRALDH1A1PLA2G2C
SCHEMBL10071605 0.85 CES2 (0.41) MEN1KMT2ATSHRALDH1A1PLA2G2C
SCHEMBL5892346 0.81 TSHR (0.44) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL5892580 0.81 TSHR (0.44) MEN1POLBKMT2ATSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10840451-B2 Organic electronic material, ink composition containing same, and organic thin film, organic electronic element, organic eletroluminescent element, lighting device, and display device formed therewith HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-11-17 US disclosed
US-10566105-B2 Method for producing charge transport film HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-02-18 US disclosed
US-20180145257-A1 ORGANIC ELECTRONIC MATERIAL, INK COMPOSITION CONTAINING SAME, AND ORGANIC THIN FILM, ORGANIC ELECTRONIC ELEMENT, ORGANIC ELETROLUMINESCENT ELEMENT, LIGHTING DEVICE, AND DISPLAY DEVICE FORMED THEREWITH RESONAC CORPORATION (JP) 2018-05-24 US disclosed