SCHEMBL7052818

SCHEMBL7052818

C[Si](C)(C)OCCCC#N

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18920319 0.93 TSHR (0.40) TSHRALDH1A1TDP1
SCHEMBL5972397 0.84
SCHEMBL11741110 0.81 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL1585591 0.79 TSHR (0.37) TSHR
SCHEMBL28389135 0.79 DUT (0.37) TSHR
SCHEMBL22420503 0.76 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL10009868 0.76 MEN1 (0.33) TSHR
SCHEMBL17611315 0.76 DUT (0.36) TSHR
SCHEMBL28391981 0.76 TSHR (0.34) TSHRALDH1A1
SCHEMBL28161770 0.75 TSHR (0.36) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108987804-B Application of nitrile compound containing siloxane group in battery electrolyte 石家庄圣泰化工有限公司 2020-08-04 CN claimed
CN-108987804-B Application of nitrile compound containing siloxane group in battery electrolyte 石家庄圣泰化工有限公司 2020-08-04 CN disclosed
CN-108586518-B Synthesis method of nitrile compound containing siloxane group 石家庄圣泰化工有限公司 2020-04-07 CN disclosed
EP-0473842-B2 Flavouring composition containing gamma-jasmolactone, the use of such a flavouring composition or gamma-jasmolactone per se for flavouring foodstuffs as well as the flavoured foodstuffs obtained QUEST INT (NL) 2003-05-07 EP disclosed
US-5783244-A Flavoring composition containing gamma-jasmolacton UNILEVER PATENT HOLDINGS B.V. (NL) 1998-07-21 US disclosed
EP-0473842-B1 Flavouring composition containing gamma-jasmolactone, the use of such a flavouring composition or gamma-jasmolactone per se for flavouring foodstuffs as well as the flavoured foodstuffs obtained QUEST INT (NL) 1996-01-03 EP disclosed
EP-0473842-A1 Flavouring composition containing gamma-jasmolactone, the use of such a flavouring composition or gamma-jasmolactone per se for flavouring foodstuffs as well as the flavoured foodstuffs obtained QUEST INTERNATIONAL B.V. (NL) 1992-03-11 EP disclosed