SCHEMBL7864087

SCHEMBL7864087

C=Cc1ccccc1[SiH2]OC(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MIF P14174 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL21065536 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23493457 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL27698650 0.72 ALOX15 (0.44) ELANEALDH1A1MAPTCYP3A4
SCHEMBL8086300 0.72 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4
SCHEMBL7858660 0.71 TAS1R3 (0.40) ELANEALDH1A1MIF
SCHEMBL1053847 0.71 ELANE (0.43) ELANEALDH1A1TP53GAAMAPT
SCHEMBL7858566 0.70 PTGS2 (0.42) MIFTP53
SCHEMBL3372071 0.69 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6564364 0.69
SCHEMBL6858043 0.69 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307081-B1 MACROMONOMER HAS ONE OR MORE SILICON-BONDED HYDROGEN ATOMS AT ONE MOLECULAR CHAIN TERMINAL, AND ONE OR MORE ALIPHATICALLY UNSATURATED SILICON-BONDED ORGANIC GROUPS AT THE OTHER MOLECULAR CHAIN TERMINAL. DOW CORNING SILICONE COMPANY, LTD. (JP) 2001-10-23 US disclosed