SCHEMBL4272292

SCHEMBL4272292

O=C=NC1CCC(C(N=C=O)C2CCC(N=C=O)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
APLNR P35414 1/20 0.37

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
SCHEMBL166545 0.92 ALDH1A1 (0.57) ALDH1A1APLNR
SCHEMBL28120054 0.83 ALDH1A1 (0.48) ALDH1A1APLNR
SCHEMBL22043042 0.79 ALDH1A1 (0.54) ALDH1A1APLNR
SCHEMBL5413680 0.79 ALDH1A1 (0.54) ALDH1A1APLNR
SCHEMBL5904844 0.79 ALDH1A1 (0.45) ALDH1A1APLNR
SCHEMBL9642004 0.78 ALDH1A1 (0.72) ALDH1A1APLNR
SCHEMBL174369 0.78 ALDH1A1 (0.72) ALDH1A1APLNR
SCHEMBL21378 0.78 ALDH1A1 (0.72) ALDH1A1APLNR
SCHEMBL247292 0.78
SCHEMBL19444447 0.78 ALDH1A1 (0.72) ALDH1A1APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156774-A1 METHOD FOR PRODUCING SILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2009-06-18 US disclosed
EP-1740642-A1 METHOD FOR PRODUCING SILOXANE COPOLYMERS Wacker Chemie AG (DE) 2007-01-10 EP disclosed
WO-2005105895-A1 METHOD FOR PRODUCING SILOXANE COPOLYMERS WACKER CHEMIE AG (DE) 2005-11-10 WO disclosed