SCHEMBL7219079

SCHEMBL7219079

[CH2]COCC(CC)C(=O)C=C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL812136 0.79
SCHEMBL28381074 0.78 TSHR (0.35) TSHRALDH1A1
SCHEMBL10526621 0.71 GRIK1 (0.39) TSHRALDH1A1
SCHEMBL3638765 0.71 CHRM1 (0.46) TSHRALDH1A1
SCHEMBL16374300 0.71 TSHR (0.35) TSHRALDH1A1
SCHEMBL5083317 0.69 CA1 (0.32) TSHRALDH1A1
SCHEMBL30924819 0.68 CA2 (0.57) TSHRALDH1A1
SCHEMBL28380452 0.68 TSHR (0.31) TSHRALDH1A1
SCHEMBL28735582 0.67
SCHEMBL8743001 0.66 HDAC1 (0.50) TSHRALDH1A1

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-6624236-B1 Sol-gel-condensable cyclosiloxane(meth) acrylates; dentistry 3M ESPE AG (DE) 2003-09-23 US disclosed
EP-1141094-B1 CYCLOSILOXANE-BASED CROSS-LINKABLE MONOMERS, PRODUCTION THEREOF AND USE THEREOF IN POLYMERISABLE MATERIALS 3M ESPE AG (DE) 2002-07-24 EP disclosed