SCHEMBL8629501

SCHEMBL8629501

CCCC(C)(N=NC(C)(C)C(=O)O)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8629499 1.00 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10
SCHEMBL5612650 0.91 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL17938590 0.91 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL15158061 0.88 CES2 (0.32) ALDH1A1HSD17B10
Pentane SCHEMBL29078898 0.85 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL5142703 0.83 TSHR (0.32) ALDH1A1
SCHEMBL7636275 0.83 TSHR (0.32) ALDH1A1
SCHEMBL8531729 0.77
SCHEMBL6908284 0.77
SCHEMBL6913878 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748219-A1 METHOD FOR PRODUCING POLYURETHANES BASF SE (DE) 2014-07-02 EP disclosed
WO-2013026809-A1 METHOD FOR PRODUCING POLYURETHANES BASF SE (DE) 2013-02-28 WO disclosed
EP-0823921-A1 GRAFT POLYMERS MADE OF ALKYLENE OXIDE UNITS-CONTAINING POLYMERS AND ETHYLENICALLY UNSATURATED COMPOUNDS, PROCESS FOR PREPARING THE SAME AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-02-18 EP disclosed
EP-0797601-A1 PROCESS FOR PRODUCING STABLE WATER-IN-OIL EMULSIONS OF HYDROLYSED POLYMERS OF N-VINYL AMIDES AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-01 EP disclosed
EP-0750646-A1 POLYMERS OF UNSATURATED SACCHARIDES AND THEIR DERIVATIVES AND THEIR COPOLYMERS HAVING ETHYLENICALLY UNSATURATED COMPOUNDS, AND PROCESS FOR PREPARING THEM VEREIN DER ZUCKERINDUSTRIE (DE) 1997-01-02 EP disclosed
WO-1996034903-A1 GRAFT POLYMERS MADE OF ALKYLENE OXIDE UNITS-CONTAINING POLYMERS AND ETHYLENICALLY UNSATURATED COMPOUNDS, PROCESS FOR PREPARING THE SAME AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-11-07 WO disclosed
EP-0731813-A1 POLYMERS OF ALKYL-1-VINYLIMIDAZOLES BASF AG (DE) 1996-09-18 EP disclosed
WO-1995032227-A1 PROCESS FOR PRODUCING STABLE WATER-IN-OIL EMULSIONS OF HYDROLYSED POLYMERS OF N-VINYL AMIDES AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed
WO-1995025135-A1 POLYMERS OF UNSATURATED SACCHARIDES AND THEIR DERIVATIVES AND THEIR COPOLYMERS HAVING ETHYLENICALLY UNSATURATED COMPOUNDS, AND PROCESS FOR PREPARING THEM VEREIN DER ZUCKERINDUSTRIE (DE) 1995-09-21 WO disclosed
WO-1995015345-A1 POLYMERS OF ALKYL-1-VINYLIMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed
EP-0623178-A1 POLYMERIC TANNING AGENTS. BASF AG (DE) 1994-11-09 EP disclosed
WO-1993014227-A1 POLYMERIC TANNING AGENTS BASF AKTIENGESELLSCHAFT (DE) 1993-07-22 WO disclosed