SCHEMBL17197801

SCHEMBL17197801

C/C=C/C=C/C(=O)NCCO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.50
CNR1 P21554 7/20 0.50
PPARG P37231 2/20 0.50
PPARD Q03181 2/20 0.50
PPARA Q07869 2/20 0.50
TRPA1 O75762 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 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
SCHEMBL8897538 0.89 CNR2 (0.51) CNR2CNR1PPARGPPARDPPARA
SCHEMBL8894733 0.89 CNR2 (0.51) CNR2CNR1PPARGPPARDPPARA
SCHEMBL4886401 0.85
SCHEMBL5176320 0.85
SCHEMBL19696572 0.85
SCHEMBL11103678 0.83 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL27976199 0.83 SMN1; SMN2 (0.41) CNR2CNR1PPARGPPARDPPARA
SCHEMBL11103679 0.83 CNR2 (0.53) CNR2CNR1PPARGPPARDPPARA
SCHEMBL9531511 0.80 CNR2 (0.47) CNR2CNR1PPARGPPARDPPARA
SCHEMBL9531499 0.80 CNR2 (0.47) CNR2CNR1PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957591-B1 REMEDIATION OF YELLOWING IN A COATING FORMULATION CONTAINING A SORBATE ESTER OR A SORBAMIDE COALESCENT ROHM & HAAS (US) 2018-07-11 EP disclosed
US-9828510-B2 Sorbic acid ester containing coatings composition ROHM AND HAAS COMPANY (US) 2017-11-28 US disclosed
US-9828510-B2 Sorbic acid ester containing coatings composition ROHM AND HAAS COMPANY (US) 2017-11-28 US disclosed
US-9714359-B2 Remediation of yellowing in a coatings formulation containing a sorbate ester or a sorbamide coalescent ROHM AND HAAS COMPANY (US) 2017-07-25 US disclosed
US-9714359-B2 Remediation of yellowing in a coatings formulation containing a sorbate ester or a sorbamide coalescent ROHM AND HAAS COMPANY (US) 2017-07-25 US disclosed
US-20170037266-A1 SORBATE ESTER OR SORBAMIDE COALESCENT IN A COATINGS FORMULATION THE DOW CHEMICAL COMPANY (US) 2017-02-09 US disclosed
US-20170037266-A1 SORBATE ESTER OR SORBAMIDE COALESCENT IN A COATINGS FORMULATION THE DOW CHEMICAL COMPANY (US) 2017-02-09 US disclosed
US-20160272825-A1 SORBIC ACID ESTER CONTAINING COATINGS COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-22 US disclosed
US-20160272825-A1 SORBIC ACID ESTER CONTAINING COATINGS COMPOSITION DOW GLOBAL TECHNOLOGIES LLC (US) 2016-09-22 US disclosed
EP-3070129-A1 SORBIC ACID ESTER CONTAINING COATINGS COMPOSITION Dow Global Technologies LLC (US) 2016-09-21 EP disclosed
EP-3029116-A1 SORBIC ACID ESTER COMPOSITION Dow Global Technologies LLC (US) 2016-06-08 EP disclosed
US-20160152856-A1 SORBIC ACID ESTER COMPOSITION ROHM & HAAS (US) 2016-06-02 US disclosed
US-20160152856-A1 SORBIC ACID ESTER COMPOSITION ROHM & HAAS (US) 2016-06-02 US disclosed
EP-2957591-A1 REMEDIATION OF YELLOWING IN A COATING FORMULATION CONTAINING A SORBATE ESTER OR A SORBAMIDE COALESCENT Rohm and Haas Company (US) 2015-12-23 EP disclosed
US-20150361290-A1 REMEDIATION OF YELLOWING IN A COATINGS FORMULATION CONTAINING A SORBATE ESTER OR A SORBAMIDE COALESCENT ROHM AND HAAS COMPANY 2015-12-17 US disclosed
US-20150361290-A1 REMEDIATION OF YELLOWING IN A COATINGS FORMULATION CONTAINING A SORBATE ESTER OR A SORBAMIDE COALESCENT ROHM AND HAAS COMPANY 2015-12-17 US disclosed
WO-2015157929-A1 SORBATE ESTER OR SORBAMIDE COALESCENT IN COATINGS FORMULATION DOW GLOBAL TECHNOLOGIES LLC (US) 2015-10-22 WO disclosed