SCHEMBL3387976

SCHEMBL3387976

C=COCC1COC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CHRM2 P08172 2/20 0.46
CHRM5 P08912 2/20 0.46
CHRM1 P11229 2/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL207666 0.81
SCHEMBL1936624 0.79
SCHEMBL21055880 0.79 ALDH1A1 (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
SCHEMBL7933592 0.79 ALDH1A1 (0.71) TSHRCHRM2CHRM5CHRM1MAPK1
Fluoride SCHEMBL8522089 0.79
Methane SCHEMBL8676111 0.79
Hydrochloric Acid SCHEMBL10941465 0.79
SCHEMBL10583671 0.77 CHRM2 (0.54) TSHRCHRM2CHRM5CHRM1MAPK1
Vinyl Chloride SCHEMBL11142319 0.75 ALDH1A1 (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1
Benzene SCHEMBL1685814 0.75 ALDH1A1 (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964862-B1 Composition and method for preparing linear copolymers of polar and non-polar olefins free of free radical initiated polymer ROHM & HAAS (US) 2010-12-22 EP disclosed
US-7524912-B2 Preparation of linear ethylene-acrylate copolymers with palladium catalysts and free radical scavengers ROHM AND HAAS COMPANY (US) 2009-04-28 US disclosed
EP-1964862-A1 Composition and method for preparing linear copolymers of polar and non-polar olefins absent free radical addition polymer Rohm and Haas Company (US) 2008-09-03 EP disclosed
EP-1964859-A1 A porous linear polymer composition Rohm and Haas Company (US) 2008-09-03 EP disclosed
US-20080207789-A1 Porous linear polymer composition ACHOLLA FRANCIS V 2008-08-28 US disclosed
US-20080207856-A1 Composition and method for preparing copolymers of polar and non-polar olefins substantially free of free radical initiated polymer ROHM AND HAAS COMPANY 2008-08-28 US disclosed
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed
US-3968139-A PLASTICIZER ROHM AND HAAS COMPANY (US) 1976-07-06 US disclosed
US-3714202-A VINYL GLYCEROL ACETALS ATLANTIC RICHFIELD CO 1973-01-30 US disclosed