SCHEMBL4455875

SCHEMBL4455875

CCCCCCCCCCCCCCCCCCC([NH3+])CCCCCCCCCCCCCCCCCC.Cc1cc(C)cc([B-](c2cc(C)cc(C)c2)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.35
CYP2D6 P10635 2/20 0.33
CNR2 P34972 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
UBE2N P61088 1/20 0.33
CSNK1E P49674 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL4453252 0.83 HTT (0.38) HTTLMNACSNK1E
SCHEMBL4459420 0.78 GABRA2 (0.35) SPHK1CYP3A4MAPT
Heptane SCHEMBL1614601 0.72 TSHR (0.53) CNR2HTTLMNACNR1
Hexadecane SCHEMBL2456024 0.72 TSHR (0.53) CNR2HTTLMNACNR1
SCHEMBL4456387 0.71 MEN1 (0.35) SPHK1HTTLMNACYP1A2CYP3A4
SCHEMBL134269 0.71 NOS2 (0.31) CNR2
SCHEMBL473252 0.69 ALDH1A1 (0.44) CYP3A4
Hexane SCHEMBL28262924 0.69 TSHR (0.47) CNR2HTTLMNACYP3A4CNR1
SCHEMBL8452416 0.69 ALDH1A1 (0.32)
SCHEMBL2702446 0.68 MAPT (0.32) LMNAMAPT

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