SCHEMBL19902260

SCHEMBL19902260

O=C1CC(CC(F)F)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL8507193 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL5870408 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL14306712 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL299523 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL18043738 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL19746419 0.76 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL4168233 0.75 TSHR (0.44) ALDH1A1TSHR
SCHEMBL4578801 0.75 TSHR (0.44) ALDH1A1TSHR
SCHEMBL15693693 0.75 TSHR (0.44) ALDH1A1TSHR
SCHEMBL9001083 0.75 ALDH1A1 (0.43) 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
US-9905872-B2 Process for preparing an ion-exchange composite material comprising a specific polymer matrix and a filler consisting of ion-exchange particles Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2018-02-27 US disclosed