SCHEMBL21093696

SCHEMBL21093696

C=C(C)C(=C)OCC1CC2C3CC(COC(=O)C(=C)C)C(C3)C2C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
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
SCHEMBL11921512 0.95 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL24991944 0.87 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12926948 0.87 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL12952321 0.87 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL12952323 0.87 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL7784033 0.86 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL21530859 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL25674404 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL12737059 0.86 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL12952101 0.85 ALDH1A1 (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-3494954-A1 PHOTOCURABLE COMPOSITION, DENTURE BASE, AND REMOVABLE DENTURE Mitsui Chemicals, Inc. (JP) 2019-06-12 EP disclosed