SCHEMBL4453252

SCHEMBL4453252

CCCCCCCCCCCCCCCCCCC([NH3+])CCCCCCCCCCCCCCCCCC.Cc1ccc([B-](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 1/20 0.33
GRM2 Q14416 1/20 0.32
KCNH2 Q12809 3/20 0.32
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 1/20 0.31
SLC2A1 P11166 1/20 0.30
CSNK1E P49674 1/20 0.30
PDE5A O76074 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4456387 0.81 MEN1 (0.35) HTTLMNAMEN1KMT2A
SCHEMBL20566136 0.78 DNM1 (0.43) HTTL3MBTL1MCHR1KCNH2HRH3
SCHEMBL8569205 0.77 SLC22A1 (0.50) HTTKCNH2LMNA
SCHEMBL30631954 0.75 HTT (0.40) HTTL3MBTL1MCHR1GRM2KCNH2
Tetrabuthylammonium SCHEMBL8568113 0.74 SLC22A1 (0.48) HTTL3MBTL1KCNH2LMNA
SCHEMBL812429 0.74 HTT (0.39) HTTL3MBTL1MCHR1GRM2KCNH2
P-Xylene SCHEMBL10941786 0.72 HTT (0.61) HTTL3MBTL1MCHR1KCNH2LMNA
Tridecane SCHEMBL9799393 0.72 HTT (0.61) HTTL3MBTL1MCHR1KCNH2LMNA
P-Xylene SCHEMBL9422628 0.72 HTT (0.61) HTTL3MBTL1MCHR1KCNH2LMNA
Octane SCHEMBL8046189 0.72 HTT (0.61) HTTL3MBTL1MCHR1KCNH2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778667-B1 4-METHYL-1-PENTENE POLYMER PARTICLES AND METHOD OF PRODUCING 4-METHYL-1-PENTENE RESIN MITSUI CHEMICALS INC (JP) 2025-09-03 EP disclosed
US-11485815-B2 4-methyl-1-pentene polymer particle and method for producing 4-methyl-1-pentene resin MITSUI CHEMICALS, INC. (JP) 2022-11-01 US disclosed
EP-3778667-A1 4-METHYL-1-PENTENE POLYMER PARTICLES AND METHOD OF PRODUCING 4-METHYL-1-PENTENE RESIN Mitsui Chemicals, Inc. (JP) 2021-02-17 EP disclosed
US-20210032397-A1 4-METHYL-1-PENTENE POLYMER PARTICLE AND METHOD FOR PRODUCING 4-METHYL-1-PENTENE RESIN MITSUI CHEMICALS, INC. (JP) 2021-02-04 US disclosed
US-20090137729-A1 Process for Producing Oriented Film MITSUI CHEMICALS, INC. (JP) 2009-05-28 US disclosed