SCHEMBL4459420

SCHEMBL4459420

CCCCCCCCCCCCCCCCCCC([NH3+])CCCCCCCCCCCCCCCCCC.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
SPHK2 Q9NRA0 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CYP3A4 P08684 2/20 0.33
MAPK1 P28482 2/20 0.33
DPP4 P27487 1/20 0.33
MAPT P10636 1/20 0.33
PDE2A O00408 1/20 0.32
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
TACR1 P25103 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL22689568 0.92 SPHK2 (0.36) GABRA2GABRB2SPHK2SPHK1TACR1
SCHEMBL4456387 0.85 MEN1 (0.35) SPHK2SPHK1CYP3A4PDE2ATSHR
SCHEMBL31749536 0.80 SLC22A1 (0.43) GABRA2GABRB2CYP3A4MAPK1MAPT
SCHEMBL16669245 0.80 SLC22A1 (0.43) GABRA2GABRB2CYP3A4MAPK1MAPT
Butylamine SCHEMBL628202 0.79 CYP3A4 (0.36) GABRA2GABRB2CYP3A4MAPK1DPP4
Tetrapentylammonium SCHEMBL527645 0.78 SLC22A1 (0.41) GABRA2GABRB2CYP3A4MAPK1MAPT
Tetrabuthylammonium SCHEMBL16668627 0.78 SLC22A1 (0.41) GABRA2GABRB2CYP3A4MAPK1DPP4
SCHEMBL628169 0.77 GABRA2 (0.36) GABRA2GABRB2CYP3A4MAPK1DPP4
SCHEMBL15538611 0.77 GABRA2 (0.36) GABRA2GABRB2CYP3A4MAPK1MAPT
SCHEMBL134606 0.74 CYP3A4 (0.35) GABRA2GABRB2CYP3A4MAPK1DPP4

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