SCHEMBL6988089

SCHEMBL6988089

C=CCC=C(C)C(=O)OCC(C)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 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
SCHEMBL6988082 1.00 TSHR (0.39) TSHRCYP2D6CYP2C19MAPTUSP2
SCHEMBL8653600 0.80 TSHR (0.38) TSHRCYP2D6CYP2C19MAPT
SCHEMBL27639528 0.80 MAPT (0.41) TSHRCYP2D6CYP2C19MAPTHSD17B10
SCHEMBL9319579 0.79 TSHR (0.41) TSHRCYP2D6CYP2C19MAPTUSP2
SCHEMBL5983748 0.78 CYP3A4 (0.40) TSHRCYP2D6CYP2C19MAPTCYP3A4
SCHEMBL28797840 0.78 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL410006 0.78 CYP2D6 (0.45) TSHRCYP2D6CYP2C19MAPTUSP2
SCHEMBL666513 0.78 CYP3A4 (0.40) TSHRCYP2D6CYP2C19MAPTCYP3A4
SCHEMBL8853633 0.77 TSHR (0.42) TSHRCYP2D6CYP2C19MAPTHSD17B10
SCHEMBL4219082 0.77 TSHR (0.42) TSHRCYP2D6CYP2C19MAPTHSD17B10

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
US-20030158358-A1 Copolymers containing fluoro and silyl groups and their use in marine antifoulant composition ARKEMA INC. 2003-08-21 US claimed
EP-1327640-A2 Copolymers containing fluoro and silyl groups and their use in marine antifoulant composition Atofina Chemicals, Inc. (US) 2003-07-16 EP claimed
US-6767978-B2 FLUORINATED (METH)ACRYLIC, TRIORGANOSILYL ACRYLIC AND (METH)ACRYLIC MONOMERS ATOFINA CHEMICALS, INC. 2004-07-27 US disclosed
US-20030158358-A1 Copolymers containing fluoro and silyl groups and their use in marine antifoulant composition ARKEMA INC. 2003-08-21 US disclosed
EP-1327640-A2 Copolymers containing fluoro and silyl groups and their use in marine antifoulant composition Atofina Chemicals, Inc. (US) 2003-07-16 EP disclosed
EP-0723967-B1 Organometallic compounds and polymers made therefrom ATOCHEM NORTH AMERICA ELF (US) 2001-04-11 EP disclosed
US-5786392-A SUSTAINED RELEASE; MARINE ANTIFOULING AGENT ATOFINA CHEMICALS, INC., A CORP. OF PENNSYLVANIA 1998-07-28 US disclosed
US-5637745-A MARINE ANTIFOULING AGENT; SUSTAINED RELEASE ELF ATOCHEM NORTH AMERICA, INC. (US) 1997-06-10 US disclosed
EP-0723967-A1 Organometallic compounds and polymers made therefrom ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-31 EP disclosed