SCHEMBL2935124

SCHEMBL2935124

CC(C)CC(C)C(C)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
ANPEP P15144 5/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
RNPEP Q9H4A4 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC7A5 Q01650 1/20 0.33
LAP3 P28838 2/20 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
SCHEMBL598787 0.84 TSHR (0.37) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL582191 0.82
SCHEMBL13944672 0.82 TSHR (0.50) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL21074821 0.82 ALDH1A1 (0.42) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL9438243 0.82 TSHR (0.35) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL8756238 0.82 TSHR (0.50) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL12985767 0.82 ALDH1A1 (0.35) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL22268897 0.82 ALDH1A1 (0.42) TSHRALDH1A1MAPK1ANPEPERAP1
SCHEMBL17607587 0.82 TSHR (0.35) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL9438282 0.79 METAP1 (0.36) TSHRALDH1A1MAPK1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1068323-C Cyclic ketone peroxide formulations AKZO NOBEL NV (NL) 2001-07-11 CN claimed
EP-0772609-B1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL NV (NL) 1999-02-24 EP claimed
US-5808110-A TRANSPORTABLE; STORAGE STABLE AKZO NOBEL NV (NL) 1998-09-15 US claimed
CN-1153514-A Cyclic ketone peroxide formulations AKZO NOBEL NV (NL) 1997-07-02 CN claimed
EP-0772609-A1 CYCLIC KETONE PEROXIDE FORMULATIONS Akzo Nobel N.V. (NL) 1997-05-14 EP claimed
WO-1996003397-A1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL N.V. (NL) 1996-02-08 WO claimed
US-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed
EP-3648806-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION Drei Lilien PVG GmbH & Co. KG (DE) 2020-05-13 EP disclosed
WO-2019008192-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2019-01-10 WO disclosed
EP-1401880-B1 METALLOCENE CATALYSTS CONTAINING AN INDENYL MOIETY SUBSTITUTED AT THE 4-, 5-, 6- OR 7-POSITION BY A SILOXY OR GERMYLOXY GROUP BOREALIS TECH OY (FI) 2010-11-10 EP disclosed
EP-1592682-B1 STORAGE STABLE CYCLIC KETONE PEROXIDE COMPOSITIONS AKZO NOBEL NV (NL) 2010-01-27 EP disclosed
CN-100546988-C Storage stable cyclic ketone peroxide compositions AKZO NOBEL NV (NL) 2009-10-07 CN disclosed
US-7456212-B2 Storage stable cyclic ketone peroxide compositions AKZO NOBEL N.V. (NL) 2008-11-25 US disclosed
US-5808110-A TRANSPORTABLE; STORAGE STABLE AKZO NOBEL NV (NL) 1998-09-15 US disclosed
WO-1998033770-A1 PEROXIDE COMPOSITIONS WITH IMPROVED SAFETY CHARACTERISTICS AKZO NOBEL N.V. (NL) 1998-08-06 WO disclosed
WO-1997028170-A1 HETEROATOM SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS FOR PREPARING THEM BOREALIS A/S (DK) 1997-08-07 WO disclosed
CN-1153514-A Cyclic ketone peroxide formulations AKZO NOBEL NV (NL) 1997-07-02 CN disclosed
EP-0772609-A1 CYCLIC KETONE PEROXIDE FORMULATIONS Akzo Nobel N.V. (NL) 1997-05-14 EP disclosed
WO-1996003397-A1 CYCLIC KETONE PEROXIDE FORMULATIONS AKZO NOBEL N.V. (NL) 1996-02-08 WO disclosed
US-3993632-A PROPELLANT BINDER SHELL OIL COMPANY (US) 1976-11-23 US disclosed