SCHEMBL9558786

SCHEMBL9558786

CC(CCO)C1CCC(CCO)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
ESR2 Q92731 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
SCHEMBL16024678 0.88 BRD4 (0.36) BRD4ESR2
SCHEMBL15247309 0.79
SCHEMBL15474108 0.79
SCHEMBL13082387 0.79 MAPT (0.39)
SCHEMBL13082388 0.79 MAPT (0.39)
SCHEMBL22580013 0.76 TRPA1 (0.36)
SCHEMBL196413 0.73 ESR2 (0.38) BRD4ESR2
SCHEMBL22127323 0.73 MAPT (0.41) BRD4ESR2
SCHEMBL23754244 0.72 SHBG (0.39) BRD4ESR2
SCHEMBL5271101 0.71 TRPA1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183946-A Reacting a diol derivative with acetylene in presence of basic catalyst; used as chemical intermediate for producing polyurethane useful as hard durable protective coating after curing ISP INVESTMENTS INC. (US) 1993-02-02 US disclosed
EP-0456658-A4 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR 1992-10-07 EP disclosed
EP-0456658-A1 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR ISP INVESTMENTS INC. (US) 1991-11-21 EP disclosed
WO-1990009364-A1 VINYLOXY HYDROXYALKYLCYCLOALKANE AND PREPARATION THEREFOR GAF CHEMICALS CORPORATION (US) 1990-08-23 WO disclosed