SCHEMBL1232182

SCHEMBL1232182

N#CC1(C=N)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL27835040 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28187002 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL548585 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL1230678 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL4121119 0.70
SCHEMBL2292112 0.70
SCHEMBL21399964 0.70 ALDH1A1 (0.37) ALDH1A1
SCHEMBL548602 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16442717 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL21399816 0.67 ALDH1A1 (0.33) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106966908-B Process for improving the catalytic activity of catalyst systems for reductive amination of aliphatic cyanoaldehydes to aliphatic diamines 陶氏环球技术有限责任公司 2020-07-31 CN disclosed
EP-2459514-B1 CYCLOALIPHATIC DIAMINES AND METHOD OF MAKING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2017-07-19 EP disclosed
US-9233908-B2 Cycloaliphatic diamines and method of making the same DOW GLOBAL TECHNOLOGIES LLC (US) 2016-01-12 US disclosed
EP-2488482-B1 PROCESS FOR IMPROVING THE CATALYTIC ACTIVITY OF CATALYST SYSTEMS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2015-08-19 EP disclosed
EP-2459515-B1 PROCESS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2015-08-19 EP disclosed
US-9024072-B2 Process for reductive amination of aliphatic cyanoaldehydes to aliphatic diamines DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-05 US disclosed
EP-2488482-A1 PROCESS FOR IMPROVING THE CATALYTIC ACTIVITY OF CATALYST SYSTEMS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES Dow Global Technologies LLC (US) 2012-08-22 EP disclosed
WO-2012087266-A1 PROCESS FOR IMPROVING THE CATALYTIC ACTIVITY OF CATALYST SYSTEMS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-28 WO disclosed
EP-2459515-A2 PROCESS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES Dow Global Technologies LLC (US) 2012-06-06 EP disclosed
EP-2459514-A2 CYCLOALIPHATIC DIAMINES AND METHOD OF MAKING THE SAME Dow Global Technologies LLC (US) 2012-06-06 EP disclosed
US-20120136173-A1 PROCESS FOR IMPROVING THE CATALYTIC ACTIVITY OF CATALYST SYSTEMS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2012-05-31 US disclosed
US-20120123165-A1 CYCLOALIPHATIC DIAMINES AND METHOD OF MAKING THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2012-05-17 US disclosed
US-20120116124-A1 PROCESS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DOW GLOBAL TECHNOLOGIES LLC (US) 2012-05-10 US disclosed
WO-2011014747-A2 CYCLOALIPHATIC DIAMINES AND METHOD OF MAKING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2011-02-03 WO disclosed
WO-2011014787-A2 PROCESS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DOW GLOBAL TECHNOLOGIES INC. (US) 2011-02-03 WO 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 (3 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-20120123165-A1 CYCLOALIPHATIC DIAMINES AND METHOD OF MAKING THE SAME DDC, DDT, DNPEP ALDH1A1 1825/4885
US-20120136173-A1 PROCESS FOR IMPROVING THE CATALYTIC ACTIVITY OF CATALYST SYSTEMS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES DDC, ASNS, NAAA ALDH1A1 200/4885
US-20120116124-A1 PROCESS FOR REDUCTIVE AMINATION OF ALIPHATIC CYANOALDEHYDES TO ALIPHATIC DIAMINES ARG1, DDC, ACMSD ALDH1A1 1298/4885

“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.