SCHEMBL18669372

SCHEMBL18669372

Cc1c(N)ccc([Si](C)(C)C)c1C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
TSHR P16473 2/20 0.42
PIK3CA P42336 1/20 0.42
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RPS6KA3 P51812 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 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
SCHEMBL33944 0.78 CYP3A4 (0.62) CYP3A4TSHRPIK3CAALDH1A1TDP1
Hydrochloric Acid SCHEMBL529931 0.74 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1TDP1
Hydrochloric Acid SCHEMBL309540 0.74 CYP3A4 (0.59) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL15411121 0.72
SCHEMBL20089238 0.67 IDO1 (0.41) CYP3A4TSHRPIK3CAALDH1A1NOS3
SCHEMBL9667 0.67 CYP3A4 (0.50) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL33509 0.67 CYP3A4 (0.50) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL18523265 0.67 IDO1 (0.47) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL15346025 0.65 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1TDP1
Iodide SCHEMBL1157672 0.65 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022059764-A1 ION-EXCHANGEABLE LAYERED SILICATE SALT PARTICLES, OLEFIN POLYMERIZATION CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, METHOD FOR PRODUCING OLEFIN POLYMERIZATION CATALYST, AND METHOD FOR PRODUCING OLEFIN POLYMER USING SAME 日本ポリプロ株式会社 2022-03-24 WO disclosed
WO-2022059765-A1 METHOD FOR PRODUCING ION-EXCHANGEABLE LAYERED SILICATE SALT PARTICLES, METHOD FOR PRODUCING OLEFIN POLYMERIZATION CATALYST COMPONENT, METHOD FOR PRODUCING OLEFIN POLYMERIZATION CATALYST, AND METHOD FOR PRODUCING OLEFIN POLYMER USING SAME 日本ポリプロ株式会社 2022-03-24 WO disclosed
EP-3353217-A1 POLYMERIZATION PROCESS USING PYRIDYLDIAMIDO COMPOUNDS SUPPORTED ON ORGANOALUMINUM TREATED LAYERED SILICATE SUPPORTS ExxonMobil Chemical Patents Inc. (US) 2018-08-01 EP disclosed
WO-2017052847-A1 POLYMERIZATION PROCESS USING PYRIDYLDIAMIDO COMPOUNDS SUPPORTED ON ORGANOALUMINUM TREATED LAYERED SILICATE SUPPORTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-03-30 WO disclosed