SCHEMBL7061249

SCHEMBL7061249

C=C(C)C(=O)OCCCCCCCCC#N

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
THRB P10828 1/20 0.46
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAAA Q02083 1/20 0.32
RAD52 P43351 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EPHX1 P07099 1/20 0.31
DNM1 Q05193 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
SCHEMBL10409035 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL11774726 1.00 TSHR (0.62) TSHRPOLBAPEX1HTTTDP1
SCHEMBL528601 0.98 TSHR (0.59) TSHRPOLBAPEX1HTTTDP1
SCHEMBL530161 0.93 TSHR (0.56) TSHRPOLBAPEX1HTTTDP1
Acrylic Acid SCHEMBL27993445 0.89 TSHR (0.50) TSHRPOLBAPEX1HTTTDP1
SCHEMBL33780 0.85 THRB (0.52) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554427 0.84 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554400 0.84 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554404 0.84 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554423 0.84 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1

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
CN-110050051-A Adhesive composition and use thereof 东亚合成株式会社 2019-07-23 CN disclosed
CN-104830193-B High-hydrophilic coating composition and application thereof 东亚合成株式会社 2019-02-22 CN disclosed
EP-0933381-B1 HIGHLY SATURATED CARBOXYLATED NITRILE COPOLYMER RUBBER AND PROCESS FOR THE PRODUCTION THEREOF NIPPON ZEON CO (JP) 2003-05-21 EP disclosed
US-6410653-B1 ACRYLONITRILE-BUTADIENE COPOLYMER NIPPON ZEON CO., LTD. (JP) 2002-06-25 US disclosed
EP-0933381-A1 HIGHLY SATURATED CARBOXYLATED NITRILE COPOLYMER RUBBER AND PROCESS FOR THE PRODUCTION THEREOF NIPPON ZEON CO., LTD. (JP) 1999-08-04 EP disclosed
US-4942906-A FOR FUEL TRANSPORTATION TOKAI RUBBER INDUSTRIES, LTD. (JP) 1990-07-24 US disclosed