SCHEMBL3861883

SCHEMBL3861883

C=Cc1ccccc1[SiH](C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 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
SCHEMBL6859086 0.79 TDP1 (0.33) TSHR
SCHEMBL1493095 0.76 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL3422344 0.75 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL27730789 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16767129 0.72 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL388507 0.71 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL10614948 0.71 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL30402501 0.71 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL10975862 0.71 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL143427 0.71 ALDH1A1 (0.40) ALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592392-B2 Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry MERCK & CO. INC. (US) 2009-09-22 US disclosed
US-20060189764-A1 Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry MERCK SHARP & DOHME CORP. 2006-08-24 US disclosed
WO-2000078740-A1 SOLID-SUPPORTED INITIATORS AND FUNCTIONAL POLYMERS FOR USE IN ORGANIC SYNTHESIS AND COMBINATORIAL CHEMISTRY WARNER-LAMBERT COMPANY (US) 2000-12-28 WO disclosed