SCHEMBL3042798

SCHEMBL3042798

CC(C1CCCCC1)C1CCCCC1.N=C=O.N=C=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
EPHX1 P07099 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL6581083 0.85 SHBG (0.37) SHBGEPHX1CA12CA1CA2
SCHEMBL3860192 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL7366600 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL466377 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL483020 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
Ethane SCHEMBL11269854 0.81 SHBG (0.46) SHBGEPHX1CA12CA1CA2
Methane SCHEMBL11266020 0.81 SHBG (0.46) SHBGEPHX1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL7990121 0.81 SHBG (0.46) SHBGEPHX1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL6306401 0.81 SHBG (0.46) SHBGEPHX1CA12CA1CA2
SCHEMBL3881590 0.81 SHBG (0.43) SHBGEPHX1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230116314-A1 SPECTACLE LENS HOYA LENS THAILAND LTD. (TH) 2023-04-13 US disclosed
US-20150266275-A1 INTERCEPTION DEVICE MADE FROM THERMOPLASTIC POLYURETHANE BASF SE (DE) 2015-09-24 US disclosed
CN-103450837-A Waterborne polyurethane adhesive for synthetic leather and preparation method thereof SHANDONG TIANQING TECHNOLOGY DEV CO LTD 2013-12-18 CN disclosed
US-20100133166-A1 COMPOSITE WATER PERMEABLE BRICK AND COMPOSITION FOR PRODUCING THE SAME BEIJING RECHSAND SCIENCE & TECHNOLOGY GROUP CO., L (CN) 2010-06-03 US disclosed
US-6657036-B1 Ion exchange resin doped group 1 and 7 compounds; and copper, silver, tin, zinc, manganese, rhenium, iron, ruthenium, osmium, cobalt, rhodium, iridium, nickel, palladium, platinum, and/or vanadium; moldings, coatings, and adhesives BASF COATINGS AG (DE) 2003-12-02 US disclosed
WO-1995026993-A9 SURFACE-MODIFYING ENDGROUPS FOR BIOMEDICAL POLYMERS 1995-11-16 WO disclosed
EP-0559809-A1 SURFACE MODIFICATION OF POLYMER OBJECTS. BAUSCH & LOMB (US) 1993-09-15 EP disclosed
EP-0531510-A4 POST-EXTENDED ANIONIC POLYURETHANE DISPERSION 1993-09-01 EP disclosed
EP-0531510-A1 POST-EXTENDED ANIONIC POLYURETHANE DISPERSION BASF CORPORATION (US) 1993-03-17 EP disclosed
WO-1992017546-A1 POST-EXTENDED ANIONIC POLYURETHANE DISPERSION BASF CORPORATION (US) 1992-10-15 WO disclosed
EP-0442889-A1 FLEXIBLE BREATHABLE POLYURETHANE COATINGS AND FILMS, AND THE PREPOLYMER FROM WHICH THEY ARE MADE W.L. GORE & ASSOCIATES, INC. (US) 1991-08-28 EP disclosed
EP-0437374-A2 Optical molding resin composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-07-17 EP disclosed
WO-1991004145-A1 MOULDING OF ARTICLES IN PLASTICS SPILLER HERBERT CLARENCE (AU) 1991-04-04 WO disclosed
WO-1990000180-A1 FLEXIBLE BREATHABLE POLYURETHANE COATINGS AND FILMS, AND THE PREPOLYMER FROM WHICH THEY ARE MADE W.L. GORE & ASSOCIATES, INC. (US) 1990-01-11 WO disclosed