SCHEMBL11419635

SCHEMBL11419635

CC1COC1COP(OCC1OCC1C)OCC1OCC1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27581112 0.74
SCHEMBL6434668 0.74
SCHEMBL13172665 0.73
SCHEMBL17839037 0.67 TSHR (0.39) ALDH1A1
SCHEMBL246722 0.67 ALDH1A1 (0.64) ALDH1A1
SCHEMBL11587127 0.67 TSHR (0.46) ALDH1A1
SCHEMBL15241182 0.67
SCHEMBL10277415 0.67
SCHEMBL6532014 0.67 TSHR (0.38) ALDH1A1
SCHEMBL16300481 0.67 SMN1; SMN2 (0.60) ALDH1A1

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-4237250-A Polyurethanes containing aryl sulfonic acid alkyl ester groups BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4201852-A Polyurethanes based on modified polyisocyanates containing sulphonic acid ester groups and process for the production thereof BAYER AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed