SCHEMBL9745938

SCHEMBL9745938

C=C(CC(Br)Br)C(=O)OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
XPO1 O14980 2/20 0.33
LMNA P02545 2/20 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
SCHEMBL9747340 0.79 TSHR (0.36) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9746817 0.79 TSHR (0.36) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9745606 0.78 TSHR (0.39) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9746204 0.78 ALDH1A1 (0.42) TSHR
SCHEMBL666917 0.76 TSHR (0.40) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL640114 0.76 TSHR (0.40) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9745588 0.75 ALDH1A1 (0.44) TSHRLMNA
SCHEMBL1520934 0.74 TSHR (0.39) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9244632 0.74 TSHR (0.39) TSHRADRA1APDE4DXPO1LMNA
SCHEMBL9745747 0.74 TSHR (0.39) TSHRADRA1APDE4DXPO1LMNA

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed