SCHEMBL9436660

SCHEMBL9436660

C=C(CCCC)C(=O)OCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
DGKA P23743 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CES1 P23141 2/20 0.33
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.33
ENPP2 Q13822 3/20 0.33
THRB P10828 1/20 0.33
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
NAAA Q02083 1/20 0.31
CA1 P00915 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
SCHEMBL6049037 0.94 TSHR (0.47) TSHRDGKAALDH1A1CES1CES2
SCHEMBL11650042 0.90 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL28046780 0.85 TSHR (0.38) TSHRDGKATHRBEPHX2
SCHEMBL170886 0.84 TSHR (0.52) TSHRDGKAALDH1A1CES1HPGD
SCHEMBL28046711 0.83 TSHR (0.42) TSHRDGKAALDH1A1HPGDTHRB
SCHEMBL27843092 0.83 TSHR (0.37) TSHRDGKAALDH1A1CES1HPGD
SCHEMBL6049055 0.82 THRB (0.36) TSHRTHRB
SCHEMBL3081526 0.82 TSHR (0.55) TSHRDGKAALDH1A1CES1HPGD
SCHEMBL5167857 0.82 TSHR (0.60) TSHRDGKAALDH1A1CES1HPGD
SCHEMBL3477341 0.82 TSHR (0.50) TSHRDGKAALDH1A1CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304395-A Mixing with dispersion of polymer based on vinyl aromatic monomer, unsaturated ester, sulfonate, unsaturated acid STAMICARBON B.V. (NL) 1994-04-19 US disclosed
US-4215027-A Aqueous thermosettable coating compositions comprising aqueous copolymer latex, amine neutralized copolymer and melamine-formaldehyde resin CANADIAN INDUSTRIES LIMITED (CA) 1980-07-29 US disclosed
US-4075134-A EMULSION POLYMERIZATION METHOD FOR PREPARING MICROSPHERES HAVING LIQUID CENTER AND SEAMLESS RIGID WALLS THE DOW CHEMICAL COMPANY (US) 1978-02-21 US disclosed
US-4049604-A Emulsion polymerization method for preparing aqueous dispersions of organic polymer particles THE DOW CHEMICAL COMPANY (US) 1977-09-20 US disclosed
US-3992333-A NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER ROHM AND HAAS COMPANY (US) 1976-11-16 US disclosed
US-3950294-A AQUEOUS COATING COMPOSITIONS OF DISPERSIONS OF THERMOPLASTIC ADDITION POLYMERS WITH LOW MOLECULAR WEIGHT PLASTICIZERS CONNELLY WILLIAM 1976-04-13 US disclosed