SCHEMBL28477667

O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

CHRNA1 CHRNB1 CHRND CHRNE CHRNG

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)

	gene	UniProt	supporting neighbours	confidence
▸	HTR6	P50406	1/20	0.55

▸	DUSP3	P51452	1/20	0.55

▸	PTPN5	P54829	1/20	0.55

▸	PTPN11	Q06124	1/20	0.55

▸	CA2	P00918	4/20	0.50

▸	CA1	P00915	3/20	0.50

▸	CA12	O43570	3/20	0.50

▸	CA9	Q16790	3/20	0.50

▸	TDP1	Q9NUW8	2/20	0.50

▸	ALDH1A1	P00352	2/20	0.50

▸	HSD17B10	Q99714	1/20	0.50

▸	CA3	P07451	1/20	0.50

▸	CA4	P22748	1/20	0.50

▸	CA6	P23280	1/20	0.50

▸	CA5A	P35218	1/20	0.50

▸	CA7	P43166	1/20	0.50

▸	PLA2G7	Q13093	1/20	0.50

▸	CA13	Q8N1Q1	1/20	0.50

▸	CA14	Q9ULX7	1/20	0.50

▸	CA5B	Q9Y2D0	1/20	0.50

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.

Compound	similarity	top predicted	shared targets
SCHEMBL28929	1.00	HTR6 (0.55)	HTR6DUSP3PTPN5PTPN11CA2
SCHEMBL597671	1.00	HTR6 (0.55)	HTR6DUSP3PTPN5PTPN11CA2
SCHEMBL3409456	1.00	HTR6 (0.55)	HTR6DUSP3PTPN5PTPN11CA2
SCHEMBL1981609	1.00	HTR6 (0.55)	HTR6DUSP3PTPN5PTPN11CA2
SCHEMBL11761400	1.00	HTR6 (0.55)	HTR6DUSP3PTPN5PTPN11CA2
SCHEMBL6740023	1.00	HTR6 (0.55)	HTR6DUSP3PTPN5PTPN11CA2
SCHEMBL30774336	0.97	HTR6 (0.52)	HTR6DUSP3PTPN5PTPN11CA2
Water SCHEMBL2863467	0.97	HTR6 (0.52)	HTR6DUSP3PTPN5PTPN11CA2
Water SCHEMBL6448903	0.97	HTR6 (0.52)	HTR6DUSP3PTPN5PTPN11CA2
Potassium Ion SCHEMBL28218945	0.97	HTR6 (0.52)	HTR6DUSP3PTPN5PTPN11CA2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-111826144-A	Method for regulating and controlling fluidity of strong water flooded zone by using composition containing functional polymer	中国石油化工股份有限公司	2020-10-27	—	—	CN	disclosed
CN-111808597-A	Composition for fluidity regulation and control, and preparation method and application thereof	中国石油化工股份有限公司	2020-10-23	—	—	CN	disclosed