SCHEMBL9725539

SCHEMBL9725539

O=C1CCCC2(CC2)C(=O)OCCO1.OCCCC(O)C(O)CO

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.30
CA9 Q16790 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
Ethylene Glycol SCHEMBL588031 0.82 CA1 (0.41) CA1CA9
SCHEMBL1396017 0.78 CA1 (0.48) CA1CA9
SCHEMBL11366827 0.71 CA1 (0.50) CA1CA9
SCHEMBL8047024 0.71 CA1 (0.50) CA1CA9
E968 SCHEMBL3028252 0.68 CA1 (0.61) CA1CA9
E968 SCHEMBL3028249 0.68 CA1 (0.61) CA1CA9
1,4-Butanediol SCHEMBL28382714 0.67 CA1 (0.58) CA1CA9
SCHEMBL8855100 0.67 LMNA (0.43) CA1CA9
Propylene Glycol SCHEMBL28380393 0.66 CA1 (0.52) CA1CA9
Ethylene Glycol SCHEMBL1242163 0.65 LMNA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5159053-A Polyurethane for use in electrostatic dissipating applications THE B. F. GOODRICH COMPANY (US) 1992-10-27 US disclosed
US-5047495-A REACTION PRODUCT OF HYDROXYL TERMINATED ETHYLENE ETHER OLIGOMER, NONHINDERED DIISOCYANATE AND ALIPHATIC GLYCOL EXTENDER THE G. F. GOODRICH COMPANY (US) 1991-09-10 US disclosed