SCHEMBL434320

SCHEMBL434320

C=C(C)C(=O)OCC1CO1.C=CCC1CCC=C1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MGLL Q99685 3/20 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
SCHEMBL19181187 0.84 ALDH1A1 (0.53) ALDH1A1CYP3A4TP53CYP2D6TSHR
Methacrylic Acid SCHEMBL646743 0.81 CHRNB2 (0.32) ALDH1A1TSHR
SCHEMBL13281933 0.76
Benzene SCHEMBL6248349 0.76 ALDH1A1 (0.78) ALDH1A1CYP3A4TP53CYP2D6TSHR
Benzene SCHEMBL7777595 0.75 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53CYP2D6TSHR
Benzene SCHEMBL28134170 0.75 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53CYP2D6TSHR
Acrylic Acid SCHEMBL28547922 0.74 ALDH1A1 (0.81) ALDH1A1CYP3A4TP53CYP2D6TSHR
Acrylic Acid SCHEMBL527679 0.74 ALDH1A1 (0.81) ALDH1A1CYP3A4TP53CYP2D6TSHR
Butadiene SCHEMBL8642792 0.74 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53CYP2D6TSHR
Propene SCHEMBL195063 0.74 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53CYP2D6TSHR

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-1038921-B2 Thermoplastic compositions based on polyamide ARKEMA FRANCE (FR) 2012-01-25 EP claimed
US-5760140-A A BLENDS OF ETHYLENE COPOLYMERS COMPRISING AN EPOXIDE FUNCTIONAL GROUP MONOMER AND A REACTIVE FUNCTIONAL GROUP MONOMER; WEAR RESISTANCE, NONABRASIVE, SCRATCH RESISTANCE ELF ATOCHEM S.A. (FR) 1998-06-02 US claimed
US-8980415-B2 Antistatic films and methods to manufacture the same JINDAL FILMS AMERICAS LLC 2015-03-17 US disclosed
US-8592047-B2 Binder based on carboxylic acid vinyl ethylene ester copolymer and polyolefin containing a functional monomer ARKEMA FRANCE (FR) 2013-11-26 US disclosed
US-20110033714-A1 BINDER BASED ON CARBOXYLIC ACID VINYL ETHYLENE ESTER COPOLYMER AND POLYOLEFIN CONTAINING A FUNCTIONAL MONOMER SK GEO CENTRIC CO., LTD. (KR) 2011-02-10 US disclosed
US-7521173-B2 Extrudable antistatic tielayers EASTMAN KODAK COMPANY (US) 2009-04-21 US disclosed
US-20080220353-A1 EXTRUDABLE ANTISTATIC TIELAYERS ENCINA PRIVATE CREDIT SPV 2, LLC, AS COLLATERAL AGENT 2008-09-11 US disclosed
US-7005406-B2 Image-recording element comprising polyester-containing image-receiving layer EASTMAN KODAK COMPANY (US) 2006-02-28 US disclosed
US-20040167021-A1 Image-recording element comprising polyester-containing image-receiving layer EASTMAN KODAK COMPANY 2004-08-26 US disclosed
EP-0333115-A2 Thermoplastic polyester composition E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-09-20 EP disclosed