SCHEMBL7987012

SCHEMBL7987012

C=CC(=O)OCCN(CC)CC.COS(=O)(=O)O

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 2/20 0.35
CHRM3 known ✓ P20309 2/20 0.35
TSHR P16473 7/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 5/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
CYP2D6 P10635 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37

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
Sulfuric Acid SCHEMBL10416096 0.92 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14924 0.88 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4387485 0.88 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL27767919 0.87 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL9185674 0.87 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27554838 0.87 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL28153939 0.85 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Chloromethane SCHEMBL1127607 0.85 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10766122 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10698787 0.85 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339371-A High concentration water-soluble polymers in water-in-oil emulsions AMERICAN CYANAMID COMPANY (US) 1982-07-13 US claimed
EP-0049766-A1 High concentration water soluble polymers as water-in-oil emulsions AMERICAN CYANAMID COMPANY (US) 1982-04-21 EP claimed
EP-0948412-A4 ELECTROGRAPHIC IMAGING ELEMENT REXAM GRAPHICS INC (US) 2000-09-20 EP disclosed
EP-0948412-A1 ELECTROGRAPHIC IMAGING ELEMENT Rexam Graphics Inc. (US) 1999-10-13 EP disclosed
WO-1998026879-A1 ELECTROGRAPHIC IMAGING ELEMENT REXAM GRAPHICS, INC. (US) 1998-06-25 WO disclosed
US-5759636-A LARGE SCALE, PHOTOPOLYMERIZATION, CATIONIC POLYMERS REXAM GRAPHICS, INC. (US) 1998-06-02 US disclosed
US-4879361-A PAPERMAKING, FLOCCULATION, ABSORBTION BASF AKTIENGESELLSCHAFT (DE) 1989-11-07 US disclosed
US-4622356-A IMPROVED PROCESS AND PROPERTIES DUE TO PRESENCE OF DIKETONE COMPOUND AMERICAN CYANAMID COMPANY (US) 1986-11-11 US disclosed
US-4568731-A ADDING 1,3-DIONE MOIETIES TO ENHANCE PERFORMANCE CHARACTERISTICS AND RATES OF POLYMERIZATION AMERICAN CYANAMID COMPANY (US) 1986-02-04 US disclosed
US-4551266-A Treatment of substantially metallic ion free acrylamide and related compounds AMERICAN CYANAMID COMPANY (US) 1985-11-05 US disclosed
US-4536326-A SODIUM BOROHYDRIDE AS POLYMERIZATION INHIBITOR AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
US-4339371-A High concentration water-soluble polymers in water-in-oil emulsions AMERICAN CYANAMID COMPANY (US) 1982-07-13 US disclosed
EP-0049766-A1 High concentration water soluble polymers as water-in-oil emulsions AMERICAN CYANAMID COMPANY (US) 1982-04-21 EP disclosed