SCHEMBL515811

SCHEMBL515811

C=C(CCC)C(=O)OCCCNC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
EPHX1 P07099 2/20 0.37
ACHE P22303 13/20 0.36
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL515795 0.89 TSHR (0.38) TSHREPHX1ACHEALDH1A1THRB
SCHEMBL516473 0.86 TSHR (0.42) TSHREPHX1ACHEALDH1A1HPGD
SCHEMBL3477377 0.83 TSHR (0.55) TSHREPHX1ACHEALDH1A1HPGD
SCHEMBL4916475 0.83 TSHR (0.43) TSHREPHX1ACHEALDH1A1HPGD
SCHEMBL3478058 0.82 TSHR (0.63) TSHREPHX1ALDH1A1HPGD
SCHEMBL4920011 0.81 TSHR (0.46) TSHREPHX1ACHE
SCHEMBL3423721 0.81 THRB (0.47) TSHRACHEALDH1A1HPGDTHRB
SCHEMBL3477532 0.80 TSHR (0.67) TSHREPHX1ACHEALDH1A1
SCHEMBL3628815 0.80 TSHR (0.67) TSHREPHX1ACHEALDH1A1
SCHEMBL3478027 0.80 TSHR (0.67) TSHREPHX1ACHEALDH1A1

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 17 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