SCHEMBL4351597

SCHEMBL4351597

O=C(O)/C=C\C(=O)OCCCCCCCCO

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.70
ATM Q13315 1/20 0.50
APP P05067 2/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
ACHE P22303 6/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRKCA P17252 1/20 0.38

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
SCHEMBL4351603 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL28542979 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL29291091 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL11475474 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL29291089 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL11475479 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL10455990 1.00 HCAR2 (0.70) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL2813247 0.98 HCAR2 (0.69) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL2811733 0.98 HCAR2 (0.69) HCAR2ATMAPPALDH1A1CYP3A4
SCHEMBL2811739 0.98 HCAR2 (0.69) HCAR2ATMAPPALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083004-A2 Electron donors, electron acceptors and adhesion promoters containing disulfide Henkel AG & Co. KGaA (DE) 2009-07-29 EP disclosed
EP-1490331-A2 ELECTRON DONORS, ELECTRON ACCEPTORS AND ADHESION PROMOTERS CONTAINING DISULFIDE National Starch and Chemical Investment Holding Corporation (US) 2004-12-29 EP disclosed
US-6803406-B2 CURABLE COMPOUND OR POLYMERS; USEFUL FOR FABRICATION OF SEMICONDUCTOR PACKAGING AND ELECTRONICS NATIONAL STARCH AND CHEMICAL INVESTMNET HOLDING CORPORATION 2004-10-12 US disclosed
WO-2003084924-A2 ELECTRON DONORS, ELECTRON ACCEPTORS AND ADHESION PROMOTERS CONTAINING DISULFIDE NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2003-10-16 WO disclosed
US-20030191270-A1 Electron donors, electron acceptors and adhesion promoters containing disulfide HENKEL AG & CO. KGAA (DE) 2003-10-09 US disclosed