SCHEMBL515795

SCHEMBL515795

C=C(CCC)C(=O)OCCNC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.35
ACHE P22303 8/20 0.32
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL515811 0.89 TSHR (0.43) TSHRTHRBACHEEPHX1ALDH1A1
SCHEMBL4916475 0.89 TSHR (0.43) TSHRTHRBACHEEPHX1ALDH1A1
SCHEMBL4920011 0.88 TSHR (0.46) TSHRACHEEPHX1CES2CES1
SCHEMBL29094305 0.85 THRB (0.32) TSHRTHRBACHE
SCHEMBL516350 0.85 THRB (0.37) TSHRTHRBACHEALDH1A1
SCHEMBL3423721 0.84 THRB (0.47) TSHRTHRBACHEALDH1A1HDAC3
SCHEMBL29094306 0.82 THRB (0.44) TSHRTHRBEPHX1ALDH1A1
SCHEMBL3476011 0.82 TSHR (0.44) TSHRTHRBALDH1A1HDAC3HDAC1
SCHEMBL19549283 0.81 THRB (0.33) TSHRTHRBALDH1A1
SCHEMBL3477377 0.79 TSHR (0.55) TSHRTHRBACHEEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US claimed
EP-2847249-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES Medipacs, Inc. (US) 2015-03-18 EP claimed
WO-2013138524-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. (US) 2013-09-19 WO claimed
US-10000605-B2 Smart polymer materials with excess reactive molecules MEDIPACS, INC. (US) 2018-06-19 US disclosed
US-20170069824-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS MEDIPACS INC (US) 2017-03-09 US disclosed
US-9500186-B2 High surface area polymer actuator with gas mitigating components MEDIPACS, INC. (US) 2016-11-22 US disclosed
US-20160206817-A1 LOW PROFILE ACTUATOR AND IMPROVED METHOD OF CAREGIVER CONTROLLED ADMINISTRATION OF THERAPEUTICS MEDIPACS INC (US) 2016-07-21 US disclosed
US-9238102-B2 Low profile actuator and improved method of caregiver controlled administration of therapeutics MEDIPACS, INC. (US) 2016-01-19 US disclosed
US-20150094448-A1 SMART POLYMER MATERIALS WITH EXCESS REACTIVE MOLECULES MEDIPACS, INC. 2015-04-02 US disclosed
US-20140221913-A1 LOW PROFILE INFUSION PUMP WITH ANTI DRUG DIVERSION AND ACTIVE FEEDBACK MECHANISMS MEDIPACS, INC. (US) 2014-08-07 US disclosed
EP-2760497-A1 LOW PROFILE INFUSION PUMP WITH ANTI DRUG DIVERSION AND ACTIVE FEEDBACK MECHANISMS Medipacs, Inc. (US) 2014-08-06 EP disclosed
WO-2013049070-A1 LOW PROFILE INFUSION PUMP WITH ANTI DRUG DIVERSION AND ACTIVE FEEDBACK MECHANISMS MEDIPACS, INC. (US) 2013-04-04 WO disclosed
EP-2531549-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS Medipacs, Inc. (US) 2012-12-12 EP disclosed
US-20120191060-A1 LOW PROFILE ACTUATOR AND IMPROVED METHOD OF CAREGIVER CONTROLLED ADMINISTRATION OF THERAPEUTICS MEDIPACS, INC. 2012-07-26 US disclosed
US-20120029430-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS MEDIPACS, INC. 2012-02-02 US disclosed
WO-2011094747-A1 HIGH SURFACE AREA POLYMER ACTUATOR WITH GAS MITIGATING COMPONENTS MEDIPACS, INC. (US) 2011-08-04 WO disclosed
WO-2011032011-A1 LOW PROFILE ACTUATOR AND IMPROVED METHOD OF CAREGIVER CONTROLLED ADMINISTRATION OF THERAPEUTICS MEDIPACS, INC. (US) 2011-03-17 WO disclosed
US-4713265-A RAPID CURING AT LOW TEMPERATURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-15 US disclosed
EP-0224915-A2 Amine vapor curable coating composition of an acrylic polymer and a polyisocyanate E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-10 EP disclosed
US-4659799-A Amine vapor curable coating composition of an acrylic polymer and a polyisocyanate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-21 US disclosed