SCHEMBL5028488

SCHEMBL5028488

Cc1cccc([B-](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)c1.Cc1cccc([NH3+])c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
RAPGEF4 Q8WZA2 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 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
SCHEMBL1024274 0.87 RAPGEF4 (0.37) ACHERAPGEF4TRPA1ATMTSHR
SCHEMBL1899051 0.83 TRPA1 (0.35) ACHECYP1A2CYP2A6ALDH1A1TRPA1
SCHEMBL2125235 0.81 TRPA1 (0.34) ACHERAPGEF4CYP1A2CYP2A6TRPA1
SCHEMBL1452514 0.80 ACHE (0.58) ACHECYP1A2ALDH1A1MAPK1TSHR
Potassium Ion SCHEMBL135397 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TSHR
Lithium Ion SCHEMBL132932 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TSHR
SCHEMBL4961104 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TSHR
Ammonia Solution, Strong SCHEMBL6065927 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TSHR
SCHEMBL134691 0.78 ACHE (0.55) ACHECYP1A2ALDH1A1MAPK1TSHR
SCHEMBL5048899 0.75 MEN1 (0.37) ACHEALDH1A1MAPK1TRPA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129579-A1 OLIGOMERIZATION OF ALPHA OLEFINS USING SUPPORTED METALLOCENE CATALYSTS IN SELECTIVE PRODUCTION OF VINYLIDENE DIMERS CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2024-06-20 WO disclosed
EP-4107194-A1 METALLOCENE CATALYSTS FOR POLYETHYLENE Chevron Phillips Chemical Company LP (US) 2022-12-28 EP disclosed
WO-2021067148-A1 CATALYST COMPOSITION AND METHOD FOR PREPARING POLYETHYLENE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2021-04-08 WO disclosed
EP-3440118-A1 LOW PRESSURE PROCESS FOR PREPARING LOW-DENSITY POLYETHYLENE Chevron Phillips Chemical Company LP (US) 2019-02-13 EP disclosed
WO-2017201304-A1 LOW PRESSURE PROCESS FOR PREPARING LOW-DENSITY POLYETHYLENE CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2017-11-23 WO disclosed
EP-1874828-A1 CATALYSTS FOR OLEFIN POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2008-01-09 EP disclosed
WO-2006113272-A1 CATALYSTS FOR OLEFIN POLYMERIZATION CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2006-10-26 WO disclosed