SCHEMBL2066596

SCHEMBL2066596

CCN(C1CCC1)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 5/20 0.42
ADH1C P00326 4/20 0.42
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL516222 0.97 ADH1A (0.46) ADH1AADH1CALDH1A1CYP1A2CYP2D6
SCHEMBL23038 0.94 ADH1A (0.50) ADH1AADH1CALDH1A1CYP1A2CYP2D6
SCHEMBL5703310 0.94 ADH1A (0.50) ADH1AADH1CALDH1A1CYP1A2CYP2D6
SCHEMBL28872600 0.94 ADH1A (0.50) ADH1AADH1CALDH1A1CYP1A2CYP2D6
SCHEMBL5703370 0.94 ADH1A (0.50) ADH1AADH1CALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL11846706 0.91 ADH1A (0.48) ADH1AADH1CALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2140609 0.91 ADH1A (0.48) ADH1AADH1CALDH1A1CYP1A2CYP2D6
SCHEMBL20160972 0.91 ADH1A (0.48) ADH1AADH1CALDH1A1CYP1A2CYP2D6
SCHEMBL2065876 0.90
SCHEMBL736002 0.84 ADH1C (0.34) ADH1AADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076558-B1 COMPOSITION COMPRISING NEOPENTASILANE AND METHOD OF PREPARING SAME DOW CORNING (US) 2018-04-18 EP disclosed
US-8147789-B2 Composition comprising neopentasilane and method of preparing same DOW CORNING CORPORATION (US) 2012-04-03 US disclosed
US-20100176338-A1 Composition Comprising Neopentasilane And Method Of Preparing Same NATA SEMICONDUCTOR MATERIALS CO., LTD. (CN) 2010-07-15 US disclosed
EP-2076558-A1 COMPOSITION COMPRISING NEOPENTASILANE AND METHOD OF PREPARING SAME Dow Corning Corporation (US) 2009-07-08 EP disclosed
WO-2008051328-A1 COMPOSITION COMPRISING NEOPENTASILANE AND METHOD OF PREPARING SAME DOW CORNING CORPORATION (US) 2008-05-02 WO disclosed