SCHEMBL8667250

SCHEMBL8667250

CCCC(OC(=O)C(Cl)(Cl)Cl)=C(C)C(=O)OC(=O)C(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
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
SCHEMBL8667862 0.82 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11204359 0.72
SCHEMBL5969298 0.68 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL11041374 0.68 CYP2D6 (0.31)
SCHEMBL28106605 0.66 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL150680 0.64 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL10487328 0.63 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL10487327 0.63 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL6566737 0.63 DGKA (0.52) ALDH1A1TSHR
SCHEMBL150679 0.63 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495603-B1 Hydrogel material PILKINGTON BARNES HIND INC (US) 1998-10-14 EP claimed