SCHEMBL7684656

SCHEMBL7684656

CC(C)CO/C=C/C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
ALDH1A1 P00352 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
SCHEMBL2914736 1.00 TSHR (0.38) TSHRALDH1A1
SCHEMBL2832059 0.78 TSHR (0.38) TSHRALDH1A1
SCHEMBL3520653 0.78 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL27492785 0.78 HCAR2 (0.39) TSHRALDH1A1
SCHEMBL7206488 0.77 TSHR (0.55) TSHRALDH1A1
SCHEMBL7680695 0.77 TSHR (0.55) TSHRALDH1A1
SCHEMBL28512095 0.75 LMNA (0.33) ALDH1A1
SCHEMBL94661 0.75
SCHEMBL30072729 0.75
SCHEMBL94662 0.75

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-6392058-B1 REACTING AN ALKYL VINYL ETHER WITH PHOSGENE; FORMING ACYL CHLORIDE; ESTERIFICATION; REACTING WITH HYDRAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
US-6329530-B1 REACTING ALKYL VINYL ETHER WITH PHOSGENE OR PHOSGENE DERIVATIVE TO FORM ACYL CHLORIDE DERIVATIVE; DEHYDROCHLORIANTING TO FORM 3-ALKOXYACRYLOYL CHLORIDE COMPOUND; REACTING WITH ALKYLHYDRAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-12-11 US disclosed