SCHEMBL2392846

SCHEMBL2392846

C=C(C)C(=O)OC(C)OC1CCO1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.34

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
SCHEMBL10903274 0.91 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL25475962 0.85 TSHR (0.35) ALDH1A1TSHR
SCHEMBL25475963 0.82 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL3871344 0.79 TSHR (0.38) ALDH1A1TSHR
SCHEMBL28864144 0.76 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL4245638 0.76 TSHR (0.36) ALDH1A1TSHR
SCHEMBL23581803 0.76 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL1218503 0.75 POLB (0.43) ALDH1A1TSHR
SCHEMBL631827 0.75 TSHR (0.35) ALDH1A1TSHR
SCHEMBL685088 0.74 ALDH1A1 (0.44) ALDH1A1TSHR

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-8017211-B2 Composition, cured product and article MITSUBISHI CHEMICAL CORPORATION (JP) 2011-09-13 US disclosed
US-20100129587-A1 COMPOSITION, CURED PRODUCT AND ARTICLE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-05-27 US disclosed