Fluoride

SCHEMBL9841310

CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc([S])cc3)CC2)CC1.CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc([S])cc3)CC2)CC1.CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc([S])cc3)CC2)CC1.CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc([S])cc3)CC2)CC1.CCC[C@H]1CC[C@H](C2CCC(C(=O)Oc3ccc([S])cc3)CC2)CC1.F.F.F.F.F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	HTT	P42858	2/20	0.45

▸	KMT2A	Q03164	2/20	0.45

▸	SMN1; SMN2	Q16637	1/20	0.45

▸	TDP1	Q9NUW8	1/20	0.45

▸	F2	P00734	1/20	0.43

▸	ELANE	P08246	2/20	0.42

▸	ATM	Q13315	1/20	0.40

▸	L3MBTL1	Q9Y468	1/20	0.38

▸	CA2	P00918	1/20	0.37

▸	POLB	P06746	2/20	0.36

▸	CYP2C9	P11712	1/20	0.36

▸	HPGD	P15428	1/20	0.36

▸	PDGFRB	P09619	1/20	0.36

▸	PDGFRA	P16234	1/20	0.36

▸	ALDH1A1	P00352	1/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	MAPT	P10636	1/20	0.35

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
Fluoride SCHEMBL9841960	0.96	KMT2A (0.49)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841602	0.93	KMT2A (0.43)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841424	0.91	KMT2A (0.42)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841805	0.90	HTT (0.42)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841999	0.90	HTT (0.42)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841210	0.90	HTT (0.42)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841650	0.90	KMT2A (0.47)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841742	0.88	KMT2A (0.46)	HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL13135346	0.88	HTT (0.58)	HTTKMT2ASMN1; SMN2TDP1F2
Fluoride SCHEMBL9841519	0.87	KMT2A (0.45)	HTTKMT2ASMN1; SMN2TDP1F2

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-5055223-A	For use in liquid crystal display elements	MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE)	1991-10-08	—	—	US	disclosed