SCHEMBL19187102

CCOCCOCCOC1[C@@H](O[C@@H]2C(OC)C(OCCO)[C@@H](O[C@H]3C(COCC)O[C@H](O[C@@H]4C(O)C(OC)[C@@H](O[C@H]5C(COCCOCCO)O[C@H](OC)C(OCCOCC)[C@@H]5O)O[C@@H]4CO)C(OCCOCCOC)[C@@H]3O)O[C@@H]2COCCOCC)OC(COCCOCCOC)[C@H](O[C@H]2O[C@H](CO)[C@H](O[C@H]3OC(COCCOCCO)[C@H](OC)[C@@H](O)C3OCCOCC)C(O)C2O)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	AMY2A	P04746	2/20	0.36

▸	FGF1	P05230	2/20	0.35

▸	LGALS3	P17931	4/20	0.35

▸	LGALS9	O00182	1/20	0.34

▸	LGALS1	P09382	1/20	0.34

▸	LGALS7; LGALS7B	P47929	1/20	0.34

▸	ENGASE	Q8NFI3	1/20	0.34

▸	LGALS8	O00214	2/20	0.33

▸	LGALS4	P56470	2/20	0.33

▸	GJB2	P29033	5/20	0.33

▸	F10	P00742	2/20	0.31

▸	CD209	Q9NNX6	1/20	0.31

▸	STAT3	P40763	1/20	0.30

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
SCHEMBL17448710	1.00	AMY2A (0.36)	AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL17447249	1.00	AMY2A (0.36)	AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL19184728	1.00	AMY2A (0.36)	AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL14925559	0.85	GJB2 (0.39)	AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL20859590	0.82	AMY2A (0.43)	AMY2ALGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL15686020	0.82	AMY2A (0.43)	AMY2ALGALS3LGALS9LGALS1LGALS7; LGALS7B
SCHEMBL19186363	0.82	—	—
SCHEMBL22192875	0.81	LGALS3 (0.33)	AMY2AFGF1LGALS3ENGASELGALS8
SCHEMBL19341669	0.78	FGF1 (0.40)	AMY2AFGF1LGALS3LGALS9LGALS1
SCHEMBL14327697	0.77	AMY2A (0.41)	AMY2ALGALS3LGALS8LGALS4GJB2

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9717239-B2	Cellulose ether as a drift control agent and rainfastness agent	AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL)	2017-08-01	—	—	US	disclosed