SCHEMBL9750709

SCHEMBL9750709

[Ce+4].c1ccc(C2CCC[Si](c3ccccc3)(c3ccccc3)O2)cc1.c1ccc(C2CCC[Si](c3ccccc3)(c3ccccc3)O2)cc1.c1ccc(C2CCC[Si](c3ccccc3)(c3ccccc3)O2)cc1.c1ccc(C2CCC[Si](c3ccccc3)(c3ccccc3)O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL913096 0.98 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL28596049 0.97 TSHR (0.39) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL2233573 0.78 TSHR (0.38) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL28894979 0.78 TSHR (0.38) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL211430 0.75 TSHR (0.42) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL2233588 0.75
SCHEMBL27507409 0.75
SCHEMBL2231431 0.74 TSHR (0.35) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL8427879 0.74 SLC6A2 (0.37) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL28138890 0.74 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3

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-5017694-A With silanol-type compounds RHONE-POULENC, INC. (US) 1991-05-21 US disclosed