SCHEMBL21986647

SCHEMBL21986647

C=CCCOC(=O)CCCC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
DGKA P23743 1/20 0.57
MGLL Q99685 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
DNM1 Q05193 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.46
PAM P19021 2/20 0.43
NAAA Q02083 1/20 0.42
HTR2C P28335 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PLA2G2C Q5R387 1/20 0.40

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
SCHEMBL10404247 0.94 TSHR (0.66) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL20388171 0.93 DGKA (0.69) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL17425428 0.93 DGKA (0.69) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL21700120 0.93 DGKA (0.69) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL21986671 0.91 TSHR (0.56) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL21986676 0.89 TSHR (0.54) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL2195300 0.88 TSHR (0.47) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL18319662 0.87 TSHR (0.57) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL513683 0.87 TSHR (0.56) TSHRDGKAMGLLALDH1A1MAPT
SCHEMBL20547998 0.87 TSHR (0.61) TSHRDGKAMGLLALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655360-B2 Gas-barrier resin composition and use thereof SHOWA DENKO K.K. (JP) 2023-05-23 US disclosed
CN-110799600-B Gas barrier resin composition and use thereof 昭和电工株式会社 2022-06-21 CN disclosed
WO-2021095574-A1 ELECTRODE AND ELECTROCHEMICAL DEVICE ダイキン工業株式会社 2021-05-20 WO disclosed
US-20210147669-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF SHOWA DENKO K.K. (JP) 2021-05-20 US disclosed
EP-3660105-A1 GAS-BARRIER RESIN COMPOSITION AND USE THEREOF Showa Denko K.K. (JP) 2020-06-03 EP disclosed
CN-110799600-A Gas barrier resin composition and use thereof 昭和电工株式会社 2020-02-14 CN disclosed