SCHEMBL8415564

SCHEMBL8415564

C=CCC(CI)OC(=O)C(=C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 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
SCHEMBL28531896 0.84 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL5152027 0.84 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL9788309 0.82 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL5697412 0.81 TSHR (0.35) TSHRALDH1A1THRB
SCHEMBL7631606 0.79 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL6688361 0.79 TSHR (0.34) TSHRALDH1A1
SCHEMBL720178 0.78 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL36606 0.76 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL5245923 0.76 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL13466321 0.74 TSHR (0.31) TSHR

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-5936003-A RESIN SUPPORT PARTICLES AND ANION EXCHANGE COMPOUNDS ATTACHED WHEREIN THE ANION-EXCHANGE COMPOUNDS COMPRISE AN INTERNAL REACTIVE GROUP, WHICH MAY BE AN ESTER, KETONE OR AMIDE GROUP, AND A TERMINAL QUATERNARY AMMONIUM SALT WHICH FUNCTIONS AS AN DIONEX CORPORATION (US) 1999-08-10 US disclosed
US-5925253-A SYNTHETIC RESIN STATIONARY PHASE LINKED TO QUATERNIZED ANION-EXCHANGE SITES THROUGH REACTIVE GROUP AND ELONGATED LINKING ATOM CHAIN DIONEX CORPORATION (US) 1999-07-20 US disclosed