SCHEMBL8978426

SCHEMBL8978426

CCCCOC(C)([O])OCCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 5/20 0.35
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CA9 Q16790 1/20 0.31
CES2 O00748 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1357038 0.83
SCHEMBL3360879 0.80 CYP3A4 (0.42) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL7167906 0.79 CYP3A4 (0.37) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3886637 0.78 ADRB2 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10762136 0.77 TSHR (0.44) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL9648981 0.77 ADRB2 (0.43) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2138838 0.77 ADRB2 (0.43) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL10516 0.77
SCHEMBL7640731 0.76 CYP3A4 (0.39) CYP3A4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2808700 0.76 CA1 (0.39) CA1CA2TSHRHPGDCA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470040-B1 Process for the preparation of a rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-09-11 EP claimed
EP-0470042-B1 Process for the preparation of a masterbatch rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-05-08 EP claimed
US-5284907-A Emulsion polymerization of an unsaturated compound having a moiety of a rubber additive and a conjugated diene using an ionic surfactant and a plasticizer functioning as the solvent and dispersant THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-02-08 US claimed
US-5284906-A Process for the preparation of a rubber having polymer bound functionality THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-02-08 US claimed
EP-0470040-A1 Process for the preparation of a rubber having polymer bound functionality THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-02-05 EP claimed
EP-0470042-A1 Process for the preparation of a masterbatch rubber having polymer bound functionality THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-02-05 EP claimed
CN-118265735-A Electrodeposition coating composition and preparation thereof 巴斯夫涂料有限公司 2024-06-28 CN disclosed
EP-0470040-B1 Process for the preparation of a rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-09-11 EP disclosed
EP-0470042-B1 Process for the preparation of a masterbatch rubber having polymer bound functionality GOODYEAR TIRE & RUBBER (US) 1996-05-08 EP disclosed
US-5284907-A Emulsion polymerization of an unsaturated compound having a moiety of a rubber additive and a conjugated diene using an ionic surfactant and a plasticizer functioning as the solvent and dispersant THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-02-08 US disclosed
US-5284906-A Process for the preparation of a rubber having polymer bound functionality THE GOODYEAR TIRE & RUBBER COMPANY (US) 1994-02-08 US disclosed
EP-0470040-A1 Process for the preparation of a rubber having polymer bound functionality THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-02-05 EP disclosed
EP-0470042-A1 Process for the preparation of a masterbatch rubber having polymer bound functionality THE GOODYEAR TIRE & RUBBER COMPANY (US) 1992-02-05 EP disclosed