SCHEMBL9861597

SCHEMBL9861597

CC1CC(OC(=O)O)CCC1OC(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 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
SCHEMBL7025951 1.00 CYP19A1 (0.30) CYP19A1
SCHEMBL693234 0.86 CYP19A1 (0.31) CYP19A1
SCHEMBL16551745 0.81 INPP5A (0.36)
SCHEMBL2467950 0.81 INPP5A (0.36)
SCHEMBL1070318 0.78 SERPINE1 (0.35) CYP19A1
SCHEMBL9165242 0.78 SERPINE1 (0.35) CYP19A1
SCHEMBL906168 0.78 SERPINE1 (0.35) CYP19A1
SCHEMBL13195790 0.77 CYP19A1 (0.46) CYP19A1
SCHEMBL15520112 0.76
SCHEMBL6666251 0.76 CHRNA7 (0.32)

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
EP-0252346-B1 PROCESS FOR THE PREPARATION OF PREPOLYMERS CONTAINING ISOCYANATE GROUPS, PREPOLYMERS PREPARED BY THIS PROCESS AND THEIR USE AS A BINDER IN ONE-COMPONENT LACQUERS BAYER AG (DE) 1991-09-11 EP disclosed
EP-0252346-A1 Process for the preparation of prepolymers containing isocyanate groups, prepolymers prepared by this process and their use as a binder in one-component lacquers BAYER AG (DE) 1988-01-13 EP disclosed