SCHEMBL9846280

SCHEMBL9846280

C=C(C)C(=O)OC([SiH3])CC.N=C=O.N=C=O.N=C=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL252653 0.90 TSHR (0.43) TSHRALDH1A1THRB
Hydrogen Sulfide SCHEMBL28851311 0.88 TSHR (0.42) TSHRALDH1A1THRB
Water SCHEMBL28018842 0.86 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL8505697 0.75 TSHR (0.33) TSHRALDH1A1THRB
SCHEMBL28119674 0.75 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL28313330 0.74 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL28143397 0.74 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL11134693 0.73 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL876357 0.72
SCHEMBL28622956 0.72 TSHR (0.42) TSHRALDH1A1THRB

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-0413174-A2 Dental adhesive composition MITSUBISHI RAYON CO., LTD. (JP) 1991-02-20 EP claimed