SCHEMBL6551501

SCHEMBL6551501

C=COC=CCC(CC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 1/20 0.34
CA2 P00918 3/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL75662 0.89 ALDH1A1 (0.45) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL23925191 0.78 ALDH1A1 (0.54) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL23925189 0.78 ALDH1A1 (0.54) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL6550806 0.78 ALDH1A1 (0.42) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL2217145 0.74 ALDH1A1 (0.50) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL29362230 0.74 TSHR (0.45) TSHRALDH1A1TDP1CYP3A4L3MBTL1
SCHEMBL5837102 0.74 ACE2 (0.36) TSHR
SCHEMBL27509762 0.74 CYP3A4 (0.40) TSHRALDH1A1TDP1CYP3A4L3MBTL1
Acetic Acid SCHEMBL27322165 0.73 TSHR (0.56) TSHRALDH1A1TDP1CYP3A4L3MBTL1
Acrylic Acid SCHEMBL27322166 0.73 TSHR (0.49) TSHRALDH1A1TDP1CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1044991-B1 Process of preparing curable compositions and compositions therefrom ROHM & HAAS (US) 2004-02-11 EP claimed
US-20020137857-A1 Forming an oligomer containing reactive functional groups,and reacting a modifier that also contains reactive function groups with the oligomer ROHM AND HAAS COMPANY 2002-09-26 US claimed
EP-1044991-A1 Process of preparing curable compositions and compositions therefrom ROHM AND HAAS COMPANY (US) 2000-10-18 EP claimed
EP-1044991-B1 Process of preparing curable compositions and compositions therefrom ROHM & HAAS (US) 2004-02-11 EP disclosed
US-6645562-B2 Drying a coating of a liquid addition oligomer having pendant functional groups; modifying by curing and crosslinking with an unsaturated compound having a reactive group using a free radical catalyst; films, adhesives, coatings, paints and inks GREENBLATT GARY DAVID (US) 2003-11-11 US disclosed
US-20030069363-A1 Method of preparing a curable coating and curing thereof GREENBLATT GARY DAVID (US) 2003-04-10 US disclosed
US-20020137857-A1 Forming an oligomer containing reactive functional groups,and reacting a modifier that also contains reactive function groups with the oligomer ROHM AND HAAS COMPANY 2002-09-26 US disclosed
US-6433098-B1 CROSSLINKING; PHOTOPOLYMERIZATION ROHM AND HAAS COMPANY 2002-08-13 US disclosed
EP-1044991-A1 Process of preparing curable compositions and compositions therefrom ROHM AND HAAS COMPANY (US) 2000-10-18 EP disclosed