SCHEMBL3677211

SCHEMBL3677211

O=C(O)C(O)SSSC(O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.37
OR51E2 Q9H255 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 1/20 0.30
DUSP3 P51452 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
SCHEMBL3690907 0.93 TSHR (0.39) TSHRTP53OR51E2LMNAALDH1A1
SCHEMBL94212 0.86 TSHR (0.44) TSHRTP53OR51E2LMNAALDH1A1
SCHEMBL8346659 0.83 TSHR (0.41) TSHRTP53OR51E2LMNAALDH1A1
SCHEMBL8351174 0.83 TSHR (0.41) TSHRTP53OR51E2LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL714830 0.83 TSHR (0.41) TSHRTP53OR51E2LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL8353342 0.83 TSHR (0.41) TSHRTP53OR51E2LMNAALDH1A1
SCHEMBL41377 0.72 TSHR (0.44) TSHRTP53OR51E2LMNAALDH1A1
SCHEMBL6045961 0.71 TSHR (0.32) TSHRTP53
Monoethanolamine SCHEMBL1964143 0.69 TSHR (0.40) TSHROR51E2LMNAALDH1A1
Ammonia Solution, Strong SCHEMBL246433 0.69 TSHR (0.41) TSHRTP53OR51E2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3211017-A1 POLYURETHANE Compagnie Générale des Etablissements Michelin (FR) 2017-08-30 EP disclosed
EP-2738208-B1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEM (JP) 2017-07-19 EP disclosed
EP-2115033-B1 POLYURETHANE MICHELIN & CIE (FR) 2017-05-17 EP disclosed
US-9200145-B2 Coupling agent for rubber/carbon black, and rubber composition containing same for use in tires SHIKOKU CHEMICALS CORPORATION (JP) 2015-12-01 US disclosed
US-20140155541-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEMICALS CORPORATION (JP) 2014-06-05 US disclosed
EP-2738208-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES Shikoku Chemicals Corporation (JP) 2014-06-04 EP disclosed
US-20130287982-A1 POLYURETHANE MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) 2013-10-31 US disclosed
US-8512834-B2 Polyurethane COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2013-08-20 US disclosed
US-20100047493-A1 Polyurethane COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2010-02-25 US disclosed
EP-0552376-B1 PRODUCTION OF POLYMER HYDROXYLATED AT BOTH TERMINALS, COMPOSITION CONTAINING SAID POLYMER AND ITS USE, AND POLYMER DERIVED FROM SAID COMPOSITION AND ITS USE NIPPON CATALYTIC CHEM IND (JP) 1999-01-13 EP disclosed
US-5391665-A Catalyzed polymerization in the presence of a dihydroxypolysulfide compound NIPPON SHOKUBAI CO., LTD. (JP) 1995-02-21 US disclosed
EP-0552376-A1 PRODUCTION OF POLYMER HYDROXYLATED AT BOTH TERMINALS, COMPOSITION CONTAINING SAID POLYMER AND ITS USE, AND POLYMER DERIVED FROM SAID COMPOSITION AND ITS USE NIPPON SHOKUBAI CO., LTD. (JP) 1993-07-28 EP disclosed