SCHEMBL1989571

SCHEMBL1989571

CC(C)(CNCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9292353 0.90 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL9814493 0.90 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL3236847 0.89 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11516936 0.87 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL9814556 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8713535 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9814480 0.84 CHRM2 (0.34) ALDH1A1
SCHEMBL9175764 0.84 CHRM2 (0.34) ALDH1A1
SCHEMBL10793159 0.84 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL5872431 0.84 CHRM2 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114700078-B Active metal-silicon dioxide catalyst and preparation method of tetramethyl diethylenetriamine 西安近代化学研究所 2024-08-02 CN disclosed
CN-114700078-A Active metal-silicon dioxide catalyst and preparation method of tetramethyl diethylenetriamine 西安近代化学研究所 2022-07-05 CN disclosed
EP-3121206-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2020-06-10 EP disclosed
EP-2931768-B1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL (US) 2017-08-16 EP disclosed
US-9676957-B2 Nitrofunctional acrylate copolymers for binder compositions ANGUS CHEMICAL COMPANY (US) 2017-06-13 US disclosed
EP-3121206-A2 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS Chemical Company (US) 2017-01-25 EP disclosed
US-20150322281-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ADVANCION CORPORATION 2015-11-12 US disclosed
EP-2931768-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS Chemical Company (US) 2015-10-21 EP disclosed
US-9029189-B2 Bicyclic guanidines, metal complexes thereof and their use in vapor deposition PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-12 US disclosed
US-9029189-B2 Bicyclic guanidines, metal complexes thereof and their use in vapor deposition PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-12 US disclosed
US-9029189-B2 Bicyclic guanidines, metal complexes thereof and their use in vapor deposition PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-05-12 US disclosed
WO-2014092914-A1 NITROFUNCTIONAL ACRYLATE COPOLYMERS FOR BINDER COMPOSITIONS ANGUS CHEMICAL COMPANY (US) 2014-06-19 WO disclosed
US-20110151615-A1 BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 US disclosed
US-20110151615-A1 BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 US disclosed
WO-2009105668-A1 BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-27 WO disclosed
WO-2009105668-A1 BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-27 WO disclosed
US-7109259-B2 Piperazinone derivatives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-09-19 US disclosed
US-20030027902-A1 Piperazinone derivatives LAZZARI DARIO (IT) 2003-02-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110151615-A1 BICYCLIC GUANIDINES, METAL COMPLEXES THEREOF AND THEIR USE IN VAPOR DEPOSITION GDA, GUCY1A2, GANC ALDH1A1 3729/4885TSHR 3386/4885TDP1 395/4885
US-20030027902-A1 Piperazinone derivatives H1-4, EIF4G1, GPX4 ALDH1A1 94/4885TSHR 4191/4885TDP1 3756/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.