SCHEMBL472193

SCHEMBL472193

CN(C)CC(C#N)CCC#N

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL59372 0.77 TSHR (0.52) TSHRALDH1A1TDP1
SCHEMBL26946382 0.75 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL26946521 0.75 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL5168896 0.74 TSHR (0.46) TSHRALDH1A1TDP1
Bromide SCHEMBL29035845 0.74 TSHR (0.31) TSHR
SCHEMBL11668635 0.73
SCHEMBL301344 0.73
SCHEMBL13374834 0.73
SCHEMBL10000715 0.72
SCHEMBL1323168 0.72 TSHR (0.48) 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710269-B2 DMAPN having a low DGN content and a process for preparing DMAPA having a low DGN content BASF SE (DE) 2014-04-29 US claimed
EP-2412698-B1 DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE (DE) 2012-11-21 EP claimed
US-20120029225-A1 DMAPN Having a Low DGN Content and a Process for Preparing DMAPA from DMAPN Having a Low DGN Content BASF SE (DE) 2012-02-02 US claimed
WO-2012013563-A1 DMAPN HAVING LOW DGN CONTENT AND METHOD FOR PRODUCING DMAPA FROM DMAPN HAVING LOW DGN CONTENT BASF SE (DE) 2012-02-02 WO claimed
EP-2412698-A1 DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE (DE) 2012-02-01 EP claimed
CN-111871459-B Modified catalyst, preparation method thereof and method for preparing N, N-dimethyl-1, 3-propane diamine 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-111871459-A Modified catalyst, preparation method thereof and method for preparing N, N-dimethyl-1, 3-propane diamine 万华化学集团股份有限公司 2020-11-03 CN disclosed
CN-103124716-B DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE 2014-11-05 CN disclosed
CN-103124716-B DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE 2014-11-05 CN disclosed
US-8710269-B2 DMAPN having a low DGN content and a process for preparing DMAPA having a low DGN content BASF SE (DE) 2014-04-29 US disclosed
US-8710269-B2 DMAPN having a low DGN content and a process for preparing DMAPA having a low DGN content BASF SE (DE) 2014-04-29 US disclosed
US-8710269-B2 DMAPN having a low DGN content and a process for preparing DMAPA having a low DGN content BASF SE (DE) 2014-04-29 US disclosed
US-20120029225-A1 DMAPN Having a Low DGN Content and a Process for Preparing DMAPA from DMAPN Having a Low DGN Content BASF SE (DE) 2012-02-02 US disclosed
US-20120029225-A1 DMAPN Having a Low DGN Content and a Process for Preparing DMAPA from DMAPN Having a Low DGN Content BASF SE (DE) 2012-02-02 US disclosed
US-20120029225-A1 DMAPN Having a Low DGN Content and a Process for Preparing DMAPA from DMAPN Having a Low DGN Content BASF SE (DE) 2012-02-02 US disclosed
WO-2012013563-A1 DMAPN HAVING LOW DGN CONTENT AND METHOD FOR PRODUCING DMAPA FROM DMAPN HAVING LOW DGN CONTENT BASF SE (DE) 2012-02-02 WO disclosed
WO-2012013563-A1 DMAPN HAVING LOW DGN CONTENT AND METHOD FOR PRODUCING DMAPA FROM DMAPN HAVING LOW DGN CONTENT BASF SE (DE) 2012-02-02 WO disclosed
EP-2412698-A1 DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE (DE) 2012-02-01 EP disclosed
EP-2412698-A1 DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE (DE) 2012-02-01 EP disclosed
EP-2412698-A1 DMAPN with low DGN content and method for producing DMAPA from DMAPN with low DGN content BASF SE (DE) 2012-02-01 EP 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 (1 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-20120029225-A1 DMAPN Having a Low DGN Content and a Process for Preparing DMAPA from DMAPN Having a Low DGN Content GMNN, DHPS, GLMN TSHR 4669/4885ALDH1A1 806/4885TDP1 2087/4885

“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.