SCHEMBL6858649

SCHEMBL6858649

CCCCCOOC(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.37
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
TSHR P16473 1/20 0.35
OPRM1 P35372 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 1/20 0.34
MAPT P10636 1/20 0.34
USP2 O75604 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33

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
SCHEMBL28079091 0.97 THRB (0.40) DNM1LMNATHRBTSHRCA1
SCHEMBL27382478 0.97 THRB (0.40) DNM1LMNATHRBTSHRCA1
SCHEMBL5442889 0.92
SCHEMBL3392324 0.80
Hexane SCHEMBL28079093 0.80 TSHR (0.47) DNM1LMNATHRBTSHROPRM1
SCHEMBL19786509 0.77 ALDH1A1 (0.33) DNM1LMNAKMT2A
SCHEMBL4335355 0.77 DNM1 (0.40) DNM1THRBTSHROPRM1CA1
SCHEMBL29221123 0.77 FAAH (0.40) DNM1LMNATHRBTSHROPRM1
SCHEMBL30094 0.76 THRB (0.50) LMNATHRBTSHRCA1CA2
SCHEMBL28285588 0.76 THRB (0.50) LMNATHRBTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0103099-B1 BETA-HYDROXYCYCLOPENTYLPEROXIDE COMPOUNDS AND THE USE THEREOF NIPPON OIL CO. LTD. (JP) 1987-04-22 EP claimed
JP-57203003-A None JP disclosed
CN-108431075-A The Frontal Polymerization method of cationically polymerizable monomers 维也纳科技大学 2018-08-21 CN disclosed
CN-105722819-A Process for preparing alkylsulfonic acids from sulfur trioxide and alkanes 格里洛凯米股份有限公司 2016-06-29 CN disclosed
US-6784256-B1 CONTROLLED FREE- RADICAL POLYMERIZATION PROCESS FOR FORMING END-FUNCTIONALIZED POLYMERS, PARTICULARLY BY A DEGENERATIVE IODINE TRANSFER AND ATOM TRANSFER RADICAL POLYMERIZATION PROCESSES NOVEON IP HOLDINGS CORP. 2004-08-31 US disclosed
US-6143848-A BY DEGENERATIVE IODINE TRANSFER; RESULTANT POLYMERS HAVE LOW POLYDISPERSITY AND PREDETERMINED MOLECULAR WEIGHT; USEFUL AS REACTIVE INTERMEDIATES IN CONDENSATION POLYMERIZATION, CHAIN POLYMERIZATION AND HETEROGENEOUS POLYMERIZATION REACTIONS THE B.F.GOODRICH COMPANY (US) 2000-11-07 US disclosed
WO-1999020659-A1 END-FUNCTIONALIZED POLYMERS BY CONTROLLED FREE-RADICAL POLYMERIZATION PROCESS AND POLYMERS MADE THEREFROM THE B.F. GOODRICH COMPANY (US) 1999-04-29 WO disclosed
JP-S57203003-A EXPELLENT FOR SLUG AND SNAIL HOKKO CHEM IND CO LTD 1982-12-13 JP disclosed