SCHEMBL3846902

SCHEMBL3846902

C=CC(OC(=O)C(=C)C)/C(=C/C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL3818698 0.79 TSHR (0.36) ALDH1A1TSHR
SCHEMBL1564402 0.79 TSHR (0.36) ALDH1A1TSHR
SCHEMBL169726 0.78 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL9514502 0.73 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL16767715 0.73 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL5523685 0.70 TSHR (0.37) ALDH1A1TSHR
SCHEMBL10802104 0.70 GABRP (0.33) ALDH1A1TSHR
Methacrylic Acid SCHEMBL10405278 0.69 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL612355 0.69 TSHR (0.37) ALDH1A1TSHR
SCHEMBL3171603 0.69 TSHR (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1639987-B1 Dental adhesive composition 3M ESPE AG (DE) 2009-08-12 EP claimed