SCHEMBL9979727

SCHEMBL9979727

C=C(C)C(=O)OCCCC1CCC(C2CCC(C3CCC(OC(=O)C(=C)C)CC3)C(F)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
THRB P10828 1/20 0.32
NAAA Q02083 1/20 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
SCHEMBL20925109 0.96 TSHR (0.32) TSHRNAAA
SCHEMBL21663342 0.96 TSHR (0.32) TSHRNAAA
SCHEMBL12177985 0.94 TSHR (0.33) TSHRTHRBNAAA
SCHEMBL12352510 0.92 NAAA (0.32) NAAA
SCHEMBL20195869 0.90 TSHR (0.33) TSHRTHRB
SCHEMBL17794359 0.89 TSHR (0.35) TSHRTHRB
SCHEMBL9979757 0.88 TSHR (0.43) TSHRTHRBNAAA
SCHEMBL9979756 0.80 THRB (0.42) TSHRTHRBNAAA
SCHEMBL3477916 0.80 TSHR (0.50) TSHRTHRBNAAA
SCHEMBL19789498 0.80 TSHR (0.50) TSHRTHRBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3489329-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2022-01-12 EP disclosed
US-11008515-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2021-05-18 US disclosed
EP-3235894-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-12-23 EP disclosed
EP-3677659-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-07-08 EP disclosed
EP-3663378-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-06-10 EP disclosed
EP-3660128-A1 LIQUID CRYSTALLINE MEDIUM Merck Patent GmbH (DE) 2020-06-03 EP disclosed
EP-3428246-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
EP-3119854-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2020-02-05 EP disclosed
EP-3048159-B1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2019-08-07 EP disclosed
US-20190161679-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
EP-2534223-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-21 EP disclosed
WO-2015139827-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2015-09-24 WO disclosed
EP-2886627-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2015-06-24 EP disclosed
US-20130183460-A1 LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
US-20130183460-A1 LIQUID-CRYSTALLINE MEDIA MERCK PATENT GMBH (DE) 2013-07-18 US disclosed
EP-2607451-A1 Liquid crystalline medium Merck Patent GmbH (DE) 2013-06-26 EP disclosed
WO-2012079676-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2012-06-21 WO disclosed
WO-2011107213-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed
WO-2011107218-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-09-09 WO disclosed
WO-2011098224-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed