SCHEMBL1818271

SCHEMBL1818271

OB(O)OCCCCCC(c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.35
HRH3 Q9Y5N1 6/20 0.35
HTR2A P28223 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
ACP3 P15309 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
HTR1B P28222 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL624788 0.94 ACP3 (0.35) KCNA3HRH3HTR2AHTR7HTR6
SCHEMBL31516172 0.94 ACP3 (0.35) KCNA3HRH3HTR2AHTR7HTR6
Ammonia Solution, Strong SCHEMBL15094349 0.93 ACP3 (0.35) KCNA3HRH3HTR2AHTR7HTR6
Butylamine SCHEMBL4543224 0.89 HTR1B (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
Tetramethylammonium Ion SCHEMBL1146977 0.89 ACP3 (0.33) KCNA3HRH3ACP3TDP1HTR1B
Tetrylammonium SCHEMBL1146621 0.87 CHRNB4 (0.36) ACP3TDP1HTR1BCNR2KIF11
Butylamine SCHEMBL4367320 0.83 HTR1B (0.39) TDP1HTR1BCNR2KIF11CNR1
Tetrabuthylammonium SCHEMBL5716017 0.82 CNR1 (0.35) TDP1HTR1BCNR2CNR1
Tetrabuthylammonium SCHEMBL1811926 0.76 CNR1 (0.35) TDP1HTR1BCNR2CNR1
SCHEMBL8023303 0.75 KIF11 (0.47) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230261-A1 NAPHTHYL ACRYLATES AS WRITING MONOMERS FOR PHOTOPOLYMERS Covestro Deutschland AG (DE) 2017-10-18 EP disclosed
WO-2016091965-A1 NAPHTHYL ACRYLATES AS WRITING MONOMERS FOR PHOTOPOLYMERS COVESTRO DEUTSCHLAND AG (DE) 2016-06-16 WO disclosed
EP-2888116-A1 SECURITY DOCUMENT AND/OR DOCUMENT OF VALUE CONTAINING A VISUALLY CHANGEABLE WINDOW WITH A HOLOGRAM Bayer Materialscience AG (DE) 2015-07-01 EP disclosed
EP-2845195-A1 NOVEL PHOTOINITIATORS FOR PHOTOPOLYMERS Bayer Materialscience AG (DE) 2015-03-11 EP disclosed
WO-2014029686-A1 SECURITY DOCUMENT AND/OR DOCUMENT OF VALUE CONTAINING A VISUALLY CHANGEABLE WINDOW WITH A HOLOGRAM BAYER MATERIALSCIENCE AG (DE) 2014-02-27 WO disclosed
WO-2013164317-A1 NOVEL PHOTOINITIATORS FOR PHOTOPOLYMERS BAYER MATERIALSCIENCE AG (DE) 2013-11-07 WO disclosed
EP-2496617-A2 URETHANES USED AS ADDITIVES IN A PHOTOPOLYMER FORMULATION Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
WO-2011054799-A2 URETHANES USED AS ADDITIVES IN A PHOTOPOLYMER FORMULATION BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO disclosed