1,6-Hexanediol

1,6-Hexanediol

SCHEMBL4407381

C=CSC=C.OCCCCCCO

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
1,4-Butanediol SCHEMBL7850531 0.97 SMN1; SMN2 (0.35) LMNATSHRALDH1A1HSD17B10MEN1
Ethylene Glycol SCHEMBL2955063 0.83
Ethylene Glycol SCHEMBL7850509 0.80 TSHR (0.36) TSHR
Ethylene Glycol SCHEMBL7848447 0.75 TSHR (0.32) TSHR
1,6-Hexanediol SCHEMBL29249024 0.73 TSHR (0.50) LMNATSHRALDH1A1HSD17B10MEN1
1,6-Hexanediol SCHEMBL22977579 0.73 TSHR (0.50) LMNATSHRALDH1A1HSD17B10MEN1
1,6-Hexanediol SCHEMBL21353993 0.73 TSHR (0.50) LMNATSHRALDH1A1HSD17B10MEN1
Propene SCHEMBL28542606 0.73 TSHR (0.50) LMNATSHRALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL1538425 0.72 SMN1; SMN2 (0.41) LMNATSHRALDH1A1HSD17B10MEN1
1,4-Butanediol SCHEMBL21065566 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286823-B1 OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME COOPERVISION INT HOLDING CO LP (BB) 2009-06-17 EP disclosed
US-7262232-B2 Ophthalmic lenses and compositions and methods for producing same COOPERVISION, INC. (US) 2007-08-28 US disclosed
US-6992118-B2 Ophthalmic lenses and compositions and methods for producing same COOPER VISION INC. (US) 2006-01-31 US disclosed
US-20050191335-A1 Ophthalmic lenses and compositions and methods for producing same COOPERVISION INC. (US) 2005-09-01 US disclosed
EP-1286823-A4 OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME OCULAR SCIENCES INC (US) 2005-01-12 EP disclosed
US-20040046932-A1 Ophthalmic lenses and compositions and methods for producing same OCULAR SCIENCES, INC. 2004-03-11 US disclosed
US-6617373-B2 First crosslinked polymer material which is water swellable, and a second polymeric material physically imobilized by the first OCULAR SCIENCES, INC. 2003-09-09 US disclosed
EP-1286823-A1 OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME Ocular Sciences Inc. (US) 2003-03-05 EP disclosed
US-20020091175-A1 Ophthalmic lenses and compositions and methods for producing same OCULAR SCIENCES, INC. 2002-07-11 US disclosed
WO-2001078971-A1 OPHTHALMIC LENSES AND COMPOSITIONS, AND METHODS FOR PRODUCING SAME OCULAR SCIENCES, INC. (US) 2001-10-25 WO disclosed