SCHEMBL231703

SCHEMBL231703

C=C(C)C(=O)OCC(C)O.O=C=NCCCCCCN=C=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL8405797 0.86 TSHR (0.42) TSHRMAPTTHRBALDH1A1
Methacrylic Acid SCHEMBL27740870 0.82 TSHR (0.43) TSHRMAPTALDH1A1
SCHEMBL5362558 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2483259 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17780845 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL181712 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2481162 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1850039 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL1304140 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2480778 0.81 TSHR (0.59) TSHRTHRBALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126696-A1 GAS BARRIER LAMINATE MITSUI CHEMICALS TOHCELLO, INC. (JP) 2018-05-10 US disclosed
EP-3299166-A1 GAS BARRIER LAMINATE Mitsui Chemicals Tohcello, Inc. (JP) 2018-03-28 EP disclosed
US-9339758-B2 Gas barrier resin composition and gas barrier composite film MITSUI CHEMICALS TOHCELLO, INC. (JP) 2016-05-17 US disclosed
US-20140373716-A1 GAS BARRIER RESIN COMPOSITION AND GAS BARRIER COMPOSITE FILM MITSUI CHEMICALS TOHCELLO, INC. (JP) 2014-12-25 US disclosed
US-20130323436-A1 PROCESS FOR PRODUCING MULTILAYERED GAS-BARRIER FILM MITSUBISHI PLASTICS, INC. (JP) 2013-12-05 US disclosed
US-20120003500-A1 PROCESS FOR PRODUCING MULTILAYERED GAS-BARRIER FILM MITSUBISHI PLASTICS, INC. (JP) 2012-01-05 US disclosed
EP-2397574-A1 PROCESS FOR PRODUCING MULTILAYERED GAS-BARRIER FILM Mitsubishi Plastics, Inc. (JP) 2011-12-21 EP disclosed
US-20010016260-A1 DEPOSITED PLASTIC FILM MITSUBISHI CHEMICAL CORPORATION (JP) 2001-08-23 US disclosed
EP-0905174-A2 Deposited plastic film Mitsubishi Chemical Corporation (JP) 1999-03-31 EP disclosed