SCHEMBL6036765

SCHEMBL6036765

O=C(Cl)OCCCCCCCCCCOC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
NAAA Q02083 1/20 0.42
EPHX1 P07099 1/20 0.39
ACHE P22303 6/20 0.38
TDP1 Q9NUW8 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL6566333 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL11391052 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL2263093 1.00 TSHR (0.46) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL336619 0.97 ALDH1A1 (0.42) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL5544553 0.90 ALDH1A1 (0.38) TSHRALDH1A1CYP3A4NAAAEPHX1
Ethylene Glycol SCHEMBL11407620 0.88 TSHR (0.37) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL1206999 0.87 NAAA (0.61) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL5104573 0.87 TSHR (0.38) TSHRALDH1A1CYP3A4NAAAEPHX1
SCHEMBL11131653 0.87 NAAA (0.61) TSHRALDH1A1NAAAEPHX1ACHE
SCHEMBL11132543 0.87 NAAA (0.61) TSHRALDH1A1NAAAEPHX1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7011930-B2 Method for control of temperature-sensitivity of polymers in solution THE PENN STATE RESEARCH FOUNDATION (US) 2006-03-14 US disclosed
US-6974660-B2 Method for control of temperature-sensitivity of polymers in solution PENN STATE RESEARCH FOUNDATION (US) 2005-12-13 US disclosed
WO-2005068419-A1 MULTIFUNCTIONAL AND BIFUNCTIONAL DITHIOCARBOXYLATE COMPOUNDS, MONOFUNCTIONAL ALKOXYCARBONYL DITHIOCARBAMATE COMPOUND, A METHOD FOR THE PREPARATION OF ALKOXYCARBONYL DITHIOCARBAMATE COMPOUNDS AS WELL AS A METHOD FOR THE PREPARATION OF MULTIBLOCK COPOLYMERS BY MEANS OF RADICAL POLYMERISATION TECHNISCHE UNIVERSITEIT EINDHOVEN (NL) 2005-07-28 WO disclosed
US-20040209095-A1 Method for control of temperature-sensitivity of polymers in solution THE PENN STATE RESEARCH FOUNDATION (US) 2004-10-21 US disclosed
US-20030232961-A1 Method for control of temperature-sensitivity of polymers in solution PENN STATE RESEARCH FOUNDATION, THE 2003-12-18 US disclosed
WO-2003078947-A2 METHOD FOR CONTROL OF TEMPERATURE-SENSITIVITY OF POLYMERS IN SOLUTION THE PENN STATE RESEARCH FOUNDATION (US) 2003-09-25 WO disclosed
EP-0247476-B1 HYDROXYPHENYL URETHANES, PROCESS FOR THEIR MANUFACTURE, THEIR USES AND CHLOROFORMATES COMPRISING HYDROXYPHENYL URETHANE GROUPS BAYER AG (DE) 1990-12-27 EP disclosed
EP-0247476-A1 Hydroxyphenyl urethanes, process for their manufacture, their uses and chloroformates comprising hydroxyphenyl urethane groups BAYER AG (DE) 1987-12-02 EP disclosed