SCHEMBL3094284

SCHEMBL3094284

CCC(C(C)C[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
CPA1 P15085 1/20 0.35

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
SCHEMBL18870454 0.83 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL19264698 0.78 TSHR (0.43) ALDH1A1TSHRCPA1
SCHEMBL3278706 0.77 CPA1 (0.44) ALDH1A1TSHRCPA1
SCHEMBL4913990 0.77 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL10496171 0.75
SCHEMBL1980677 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8374819 0.72 ALDH1A1 (0.35) ALDH1A1TSHRCPA1
SCHEMBL18136081 0.72
SCHEMBL18136078 0.72
SCHEMBL18136084 0.72

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844189-B1 Method for preparing a sampling swab SMITHS DETECTION INC (CA) 2020-10-28 EP claimed
EP-1844189-A2 SAMPLING SWAB Smiths Detection Inc. (CA) 2007-10-17 EP claimed
WO-2007066240-A2 SAMPLING SWAB SMITHS DETECTION INC. (US) 2007-06-14 WO claimed
US-20060192098-A1 Sampling swab SMITHS DETECTION INC. 2006-08-31 US claimed
US-20050288616-A1 Sampling swab SMITHS DETECTION, INC. 2005-12-29 US claimed
WO-2022073099-A1 METALIZED NANO COATED SWAB FOR TRACE DETECTION GREEN BELTING INDUSTRIES LTD. (CA) 2022-04-14 WO disclosed
EP-2069779-B1 MULTI-DETECTOR GAS IDENTIFICATION SYSTEM AND METHOD SMITHS DETECTION INC (US) 2021-07-07 EP disclosed
EP-1844189-B1 Method for preparing a sampling swab SMITHS DETECTION INC (CA) 2020-10-28 EP disclosed
WO-2020068179-A2 WIPE FOR EXPLOSIVES AND NARCOTICS DETECTION ILLINOIS TOOL WORKS INC. (US) 2020-04-02 WO disclosed
EP-1851538-B1 ARTICLE SCANNER SMITHS DETECTION INC (US) 2016-10-19 EP disclosed
US-9200992-B2 Sampling swab SMITHS DETECTION (CA) 2015-12-01 US disclosed
US-20150185125-A1 SAMPLING SWAB SMITHS DETECTION-TORONTO LTD. 2015-07-02 US disclosed
WO-2008039996-A2 MULTI-DETECTOR GAS IDENTIFICATION SYSTEM SMITHS DETECTION INC. (US) 2008-04-03 WO disclosed
WO-2008035138-A2 ION MOBILITY SPECTROMETRY ANALYZER WITH IMPROVED SAMPLE RECEIVING DEVICE SMITHS DETECTION INC. (US) 2008-03-27 WO disclosed
EP-1851538-A2 ARTICLE SCANNER Smiths Detection Inc. (US) 2007-11-07 EP disclosed
EP-1844189-A2 SAMPLING SWAB Smiths Detection Inc. (CA) 2007-10-17 EP disclosed
WO-2007089221-A2 ARTICLE SCANNER SMITHS DETECTION INC. (US) 2007-08-09 WO disclosed
WO-2007066240-A2 SAMPLING SWAB SMITHS DETECTION INC. (US) 2007-06-14 WO disclosed
US-20060192098-A1 Sampling swab SMITHS DETECTION INC. 2006-08-31 US disclosed
US-20050288616-A1 Sampling swab SMITHS DETECTION, INC. 2005-12-29 US disclosed