SCHEMBL4772042

SCHEMBL4772042

C=C(C)C(=O)OCCC(N)(CC)CC.COS(=O)(=O)O

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL11239522 0.91 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL11510046 0.89 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28483095 0.81 TSHR (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11139404 0.80 TSHR (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28340198 0.80 THRB (0.45) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27785353 0.79 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL27979674 0.78 THRB (0.39) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11203323 0.76 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
Trimethylammonium SCHEMBL4974909 0.76 TSHR (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28820020 0.75 TSHR (0.49) THRBTSHRALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999294-A2 PROCESS FOR PREPARING SUBSTRATES WITH POROUS SURFACE Advanced Materials Technology, Inc. (US) 2008-12-10 EP claimed
WO-2007095158-A2 PROCESS FOR PREPARING SUBSTRATES WITH POROUS SURFACE ADVANCED MATERIALS TECHNOLOGY, INC. (US) 2007-08-23 WO claimed
EP-1999294-A2 PROCESS FOR PREPARING SUBSTRATES WITH POROUS SURFACE Advanced Materials Technology, Inc. (US) 2008-12-10 EP disclosed
WO-2007095158-A2 PROCESS FOR PREPARING SUBSTRATES WITH POROUS SURFACE ADVANCED MATERIALS TECHNOLOGY, INC. (US) 2007-08-23 WO disclosed
US-4158595-A AQUEOUS SUSPENSION OF ANIONIC AND CATIONIC NITROGEN-CONTAINING POLYMERS HERCULES INCORPORATED (US) 1979-06-19 US disclosed
US-4154647-A TREATMENT WITH AQUEOUS MIXTURE OF CATIONIC AND ANIONIC WATER-SOLUBLE NITROGEN-CONTAINING POLYMERS HERCULES INCORPORATED (US) 1979-05-15 US disclosed