SCHEMBL6387404

FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	1/20	0.41

▸	TSHR	P16473	1/20	0.41

▸	KIF11	P52732	1/20	0.41

▸	TACR1	P25103	13/20	0.39

▸	P2RX1	P51575	1/20	0.37

▸	IDO1	P14902	1/20	0.37

▸	TDO2	P48775	1/20	0.37

▸	MYC	P01106	1/20	0.36

▸	MAX	P61244	1/20	0.36

▸	KDM1A	O60341	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
SCHEMBL5909720	0.84	ALDH1A1 (0.48)	ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL15065839	0.84	ALDH1A1 (0.48)	ALDH1A1TSHRKIF11TACR1P2RX1
Benzene SCHEMBL30336225	0.84	TSHR (0.43)	ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL1155236	0.81	KIF11 (0.37)	TSHRKIF11
SCHEMBL41567	0.79	CES2 (0.44)	ALDH1A1TSHRKIF11IDO1
Aniline SCHEMBL1010731	0.79	ALDH1A1 (0.43)	ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL215855	0.78	ALDH1A1 (0.41)	ALDH1A1TSHRKIF11TACR1P2RX1
Toluene SCHEMBL6538388	0.78	TSHR (0.41)	ALDH1A1TSHRKIF11TACR1P2RX1
Toluene SCHEMBL6239727	0.78	TSHR (0.41)	ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL8025648	0.78	TSHR (0.46)	ALDH1A1TSHRKIF11TACR1P2RX1

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-20050271794-A1	Liquid perfluoropolymers and medical and cosmetic applications incorporating same	SYNECOR, LLC	2005-12-08	—	—	US	disclosed