SCHEMBL6581083

SCHEMBL6581083

CC(C)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
SCHEMBL3042798 0.85 SHBG (0.37) SHBGEPHX1CA12CA1CA2
SCHEMBL5282 0.84
SCHEMBL21575869 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL8022524 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL5412 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL7739164 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL3335831 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
Cyclohexane SCHEMBL5321429 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL28542817 0.84 SHBG (0.48) SHBGEPHX1CA12CA1CA2
SCHEMBL5132 0.84 SHBG (0.48) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0935627-B1 A POLYFUNCTIONAL LIQUID URETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES INC (US) 2003-05-21 EP claimed
US-6162862-A Polyfunctional liquid urethane composition THE DOW CHEMICAL COMPANY (US) 2000-12-19 US claimed
CN-109293865-A Polymerisable compound for glass lens SKC株式会社 2019-02-01 CN disclosed
EP-1023350-B1 LIQUID URETHANE COMPOSITIONS FOR TEXTILE COATINGS DOW CHEMICAL CO (US) 2004-05-06 EP disclosed
EP-0935627-B1 A POLYFUNCTIONAL LIQUID URETHANE COMPOSITION DOW GLOBAL TECHNOLOGIES INC (US) 2003-05-21 EP disclosed
US-6531228-B1 Polyurethane based composition for treating textiles to provide such treated textile with oil, water or oil and water repellency. The composition comprises a polyfunctional liquid polyurethane-containing adduct wherein the adduct contains as DOW GLOBAL TECHNOLOGIES INC. 2003-03-11 US disclosed
US-6162862-A Polyfunctional liquid urethane composition THE DOW CHEMICAL COMPANY (US) 2000-12-19 US disclosed
EP-1023350-A2 LIQUID URETHANE COMPOSITIONS FOR TEXTILE COATINGS THE DOW CHEMICAL COMPANY (US) 2000-08-02 EP disclosed
WO-1999016800-A2 LIQUID URETHANE COMPOSITIONS FOR TEXTILE COATINGS THE DOW CHEMICAL COMPANY (US) 1999-04-08 WO disclosed