SCHEMBL10890215

SCHEMBL10890215

C=C(C)COCC(CO)(CBr)CBr

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL10606571 0.90 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL10607655 0.90 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL1618581 0.82 THRB (0.33)
SCHEMBL1618584 0.80 HSD17B10 (0.32)
SCHEMBL1686788 0.78 ALDH1A1 (0.61) ALDH1A1TSHR
SCHEMBL10607115 0.77
SCHEMBL10608681 0.77 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL7560097 0.74 THRB (0.40)
SCHEMBL1618578 0.72
SCHEMBL10608688 0.71 THRB (0.53) 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-4578445-A Halogen-containing lens material KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed
EP-0162550-A2 Halogen-containing lens material KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-11-27 EP disclosed