1,6-Hexanediol

1,6-Hexanediol

SCHEMBL4094908

C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.C=C(C)C(=O)O.CC(CCNC(=O)OCCO)CC(C)(C)CNC(=O)OCCO.OCCCCCCO

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.40
TDP1 Q9NUW8 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNB4 P30926 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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.

Compoundsimilaritytop predictedshared targets
Methacrylic Acid SCHEMBL3132581 0.97 ACHE (0.40) ACHETDP1CHRNB2CHRNB4CHRNA3
Methacrylic Acid SCHEMBL630757 0.97 ACHE (0.40) ACHETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL525052 0.88 ACHE (0.46) ACHETDP1CHRNB2CHRNB4CHRNA3
SCHEMBL472550 0.88 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10405560 0.88 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3132587 0.88 ACHE (0.38) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL181998 0.82 THRB (0.37) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4094910 0.82 TSHR (0.43) ACHETDP1HRH4HRH3
SCHEMBL18812881 0.81 CHRNB2 (0.34) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL630756 0.81 ACHE (0.34) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028254-B2 Dental prosthetics comprising curable acrylate polymer compositions and methods of their use SCIENTIFIC PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed
US-20130302513-A1 DENTAL PROSTHETICS COMPRISING CURABLE ACRYLATE POLYMER COMPOSITIONS AND METHODS OF THEIR USE SCIENT PHARMACEUTICALS INC (US) 2013-11-14 US disclosed
US-20090239969-A1 DENTAL PROSTHETICS COMPRISING CURABLE ACRYLATE POLYMER COMPOSITIONS AND METHODS OF THEIR USE SCIENTIFIC PHARMACEUTICALS, INC (US) 2009-09-24 US disclosed
US-20060035997-A1 Curable acrylate polymer compositions featuring improved flexural characteristics SCIENTIFIC PHARMACEUTICALS, INC. 2006-02-16 US disclosed