SCHEMBL19203343

O=S(=O)(O)OC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](OC1[C@H](O)[C@H]2O)O[C@@H]8COS(=O)(=O)O)O[C@@H]7COS(=O)(=O)O)O[C@@H]6COS(=O)(=O)O)O[C@@H]5COS(=O)(=O)O)O[C@@H]4COS(=O)(=O)O)O[C@@H]3COS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.50

▸	TSHR	P16473	2/20	0.50

▸	LMNA	P02545	1/20	0.50

▸	TDP1	Q9NUW8	1/20	0.50

▸	FYN	P06241	1/20	0.49

▸	MAOA	P21397	1/20	0.49

▸	SLC6A2	P23975	1/20	0.49

▸	HTR2C	P28335	1/20	0.49

▸	HTR2B	P41595	1/20	0.49

▸	SLC6A3	Q01959	1/20	0.49

▸	TXNRD1	Q16881	6/20	0.42

▸	TXNRD3	Q86VQ6	6/20	0.42

▸	TXNRD2	Q9NNW7	6/20	0.42

▸	CA2	P00918	2/20	0.36

▸	CA1	P00915	1/20	0.36

▸	CA9	Q16790	1/20	0.36

▸	HDAC3	O15379	1/20	0.34

▸	HDAC1	Q13547	1/20	0.34

▸	HDAC2	Q92769	1/20	0.34

▸	HDAC8	Q9BY41	1/20	0.34

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
SCHEMBL7623530	1.00	ALDH1A1 (0.50)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL19203208	1.00	ALDH1A1 (0.50)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL29395554	1.00	ALDH1A1 (0.50)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL2305805	0.94	ALDH1A1 (0.62)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL398655	0.94	ALDH1A1 (0.62)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL432885	0.94	ALDH1A1 (0.62)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL1056613	0.94	ALDH1A1 (0.62)	ALDH1A1TSHRLMNATDP1FYN
SCHEMBL19196163	0.92	FYN (0.47)	ALDH1A1TSHRLMNATDP1FYN
Ammonia Solution, Strong SCHEMBL19100618	0.92	ALDH1A1 (0.61)	ALDH1A1TSHRLMNATDP1FYN
Ammonia Solution, Strong SCHEMBL19100890	0.92	ALDH1A1 (0.61)	ALDH1A1TSHRLMNATDP1FYN

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-20170218179-A1	ANTI-STATIC COMPOSITIONS	HONEYWELL SAFETY PRODUCTS USA, INC.	2017-08-03	—	—	US	disclosed